Target Information
| Target General Information | Top | |||||
|---|---|---|---|---|---|---|
| Target ID |
T99799
(Former ID: TTDS00143)
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| Target Name |
Cholinesterase (BCHE)
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| Synonyms |
Pseudocholinesterase; Choline esterase II; CHE1; Butyrylcholine esterase; Acylcholine acylhydrolase
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| Gene Name |
BCHE
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| Target Type |
Successful target
|
[1] | ||||
| Disease | [+] 2 Target-related Diseases | + | ||||
| 1 | Pain [ICD-11: MG30-MG3Z] | |||||
| 2 | Tonus and reflex abnormality [ICD-11: MB47] | |||||
| Function |
Esterase with broad substrate specificity. Contributes to the inactivation of the neurotransmitter acetylcholine. Can degrade neurotoxic organophosphate esters.
Click to Show/Hide
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| BioChemical Class |
Type-B carboxylesterase/lipase
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| UniProt ID | ||||||
| EC Number |
EC 3.1.1.8
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| Sequence |
MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDC LYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALG FLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPG SHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEI LLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVY GAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDV VGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLER RDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMT KLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCV GL Click to Show/Hide
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| 3D Structure | Click to Show 3D Structure of This Target | PDB | ||||
| ADReCS ID | BADD_A00300 ; BADD_A00362 ; BADD_A01261 ; BADD_A01322 ; BADD_A02053 ; BADD_A04623 | |||||
| HIT2.0 ID | T25Y64 | |||||
| Drugs and Modes of Action | Top | |||||
|---|---|---|---|---|---|---|
| Approved Drug(s) | [+] 2 Approved Drugs | + | ||||
| 1 | Hexafluronium bromide | Drug Info | Approved | Spasm | [2], [3] | |
| 2 | MEPTAZINOL | Drug Info | Approved | Pain | [2] | |
| Clinical Trial Drug(s) | [+] 6 Clinical Trial Drugs | + | ||||
| 1 | (-)-Phenserine | Drug Info | Phase 3 | Alzheimer disease | [4] | |
| 2 | Eptastigmine | Drug Info | Phase 3 | Cognitive impairment | [5] | |
| 3 | JES-9501 | Drug Info | Phase 1 | Alzheimer disease | [6] | |
| 4 | Plasma derived human butyrylcholinesterase | Drug Info | Phase 1 | Neurotoxicity | [7] | |
| 5 | Protexia | Drug Info | Phase 1 | Alzheimer disease | [8] | |
| 6 | RVT-103+RVT-104 | Drug Info | Phase 1 | Alzheimer disease | [9] | |
| Mode of Action | [+] 3 Modes of Action | + | ||||
| Inhibitor | [+] 233 Inhibitor drugs | + | ||||
| 1 | Hexafluronium bromide | Drug Info | [1] | |||
| 2 | MEPTAZINOL | Drug Info | [10] | |||
| 3 | (-)-Phenserine | Drug Info | [11] | |||
| 4 | Eptastigmine | Drug Info | [12] | |||
| 5 | RVT-103+RVT-104 | Drug Info | [9] | |||
| 6 | Decyle nelycorine dibromo salt derivative 1 | Drug Info | [15] | |||
| 7 | Di-substituted piperidine derivative 1 | Drug Info | [15] | |||
| 8 | Di-substituted piperidine derivative 2 | Drug Info | [15] | |||
| 9 | Di-substituted piperidine derivative 3 | Drug Info | [15] | |||
| 10 | Egonol compound 1 | Drug Info | [16] | |||
| 11 | Indoline derivative 1 | Drug Info | [15] | |||
| 12 | Isochroman-4-ketone derivative 1 | Drug Info | [15] | |||
| 13 | PMID29757691-Compound-10 | Drug Info | [15] | |||
| 14 | PMID29757691-Compound-2a | Drug Info | [15] | |||
| 15 | PMID29757691-Compound-2a-i | Drug Info | [15] | |||
| 16 | PMID29757691-Compound-7 | Drug Info | [15] | |||
| 17 | PMID29757691-Compound-8a | Drug Info | [15] | |||
| 18 | PMID29757691-Compound-8b | Drug Info | [15] | |||
| 19 | PMID29757691-Compound-8c | Drug Info | [15] | |||
| 20 | PMID29757691-Compound-8d | Drug Info | [15] | |||
| 21 | Quinazoline alkaloid derivative 1 | Drug Info | [15] | |||
| 22 | Tacrine heterodimer derivative 1 | Drug Info | [15] | |||
| 23 | Tetra-hydro-isoquinoline derivative 1 | Drug Info | [15] | |||
| 24 | Tetra-hydro-isoquinoline derivative 2 | Drug Info | [15] | |||
| 25 | Tetra-hydro-isoquinoline derivative 3 | Drug Info | [15] | |||
| 26 | Tetra-hydro-isoquinoline derivative 4 | Drug Info | [15] | |||
| 27 | (-)-DEBROMOFLUSTRAMINE B | Drug Info | [17] | |||
| 28 | (-)-Phenethylcymserine | Drug Info | [11] | |||
| 29 | (-)-Tolserine | Drug Info | [11] | |||
| 30 | (1'H-Phenothiazin-1'-yl)(piperidin-1-yl)methanone | Drug Info | [18] | |||
| 31 | (10H-phenothiazin-10-yl)(m-tolyl)methanone | Drug Info | [19] | |||
| 32 | (10H-phenothiazin-10-yl)(o-tolyl)methanone | Drug Info | [19] | |||
| 33 | (10H-phenothiazin-10-yl)(p-tolyl)methanone | Drug Info | [19] | |||
| 34 | (10H-phenothiazin-10-yl)(phenyl)methanone | Drug Info | [19] | |||
| 35 | (1R)-MENTHYL HEXYL PHOSPHONATE GROUP | Drug Info | [20] | |||
| 36 | (1S)-MENTHYL HEXYL PHOSPHONATE GROUP | Drug Info | [20] | |||
| 37 | (24S)-ethylcholesta-7,9(11),22(E)-triene-3b-ol | Drug Info | [21] | |||
| 38 | (3-bromophenyl)(10H-phenothiazin-10-yl)methanone | Drug Info | [19] | |||
| 39 | (4-bromophenyl)(10H-phenothiazin-10-yl)methanone | Drug Info | [19] | |||
| 40 | (4-nitrophenyl)(10H-phenothiazin-10-yl)methanone | Drug Info | [19] | |||
| 41 | (RS)-tacrine(10)-hupyridone | Drug Info | [22] | |||
| 42 | 1,10-bis(pyridinium)-decane dibromide | Drug Info | [23] | |||
| 43 | 1,11-bis(pyridinium)-undecane dibromide | Drug Info | [23] | |||
| 44 | 1,2-bis(2,3-fluorophenyl)ethane-1,2-dione | Drug Info | [24] | |||
| 45 | 1,2-di(10H-phenothiazin-10-yl)ethane-1,2-dione | Drug Info | [19] | |||
| 46 | 1,2-Di(berberine-9-O-yl)ethane dibromide | Drug Info | [25] | |||
| 47 | 1,2-indanedione | Drug Info | [26] | |||
| 48 | 1,2-NAPHTHOQUINONE | Drug Info | [26] | |||
| 49 | 1,3-Di(berberine-9-O-yl)ethane dibromide | Drug Info | [25] | |||
| 50 | 1,4-Di(berberine-9-O-yl)ethane dibromide | Drug Info | [25] | |||
| 51 | 1,9-bis(pyridinium)-nonane dibromide | Drug Info | [23] | |||
| 52 | 1-(10H-phenothiazin-10-yl)-2-phenylbutan-1-one | Drug Info | [19] | |||
| 53 | 1-(10H-phenothiazin-10-yl)-2-phenylethanone | Drug Info | [19] | |||
| 54 | 1-(10H-phenothiazin-10-yl)-2-phenylpropan-1-one | Drug Info | [19] | |||
| 55 | 1-(10H-phenothiazin-10-yl)-3-phenylbutan-1-one | Drug Info | [19] | |||
| 56 | 1-(10H-phenothiazin-10-yl)-3-phenylpropan-1-one | Drug Info | [19] | |||
| 57 | 1-(10H-phenothiazin-10-yl)-4-phenylbutan-1-one | Drug Info | [19] | |||
| 58 | 1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione | Drug Info | [27] | |||
| 59 | 1-methyl-3-(phenylcarbamoyloxy)pyridinium bromide | Drug Info | [11] | |||
| 60 | 2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-imine | Drug Info | [28] | |||
| 61 | 2-(N-Morpholino)-Ethanesulfonic Acid | Drug Info | [29] | |||
| 62 | 2-biphenyl-4-yl-1-phenothiazin-10-yl-ethanone | Drug Info | [19] | |||
| 63 | 2-methoxyphenyl 10H-phenothiazine-10-carboxylate | Drug Info | [30] | |||
| 64 | 2-Methyl-beta-carboline-2-ium iodide | Drug Info | [31] | |||
| 65 | 2-Propyl-beta-carboline-2-ium iodide | Drug Info | [31] | |||
| 66 | 24-ethyl-cholest-7-ene-3,5,6-triol | Drug Info | [21] | |||
| 67 | 24-ethylcholest-6-ene-3,5-diol | Drug Info | [21] | |||
| 68 | 3,4,5,6-Tetrachloro-[1,2]benzoquinone | Drug Info | [32] | |||
| 69 | 3-(2-Diethylamino-acetamino)-rutaecarpine | Drug Info | [33] | |||
| 70 | 3-(2-Diethylamino-propionamino)-rutaecarpine | Drug Info | [33] | |||
| 71 | 3-(2-N-Piperidyl-propionamino)-rutaecarpine | Drug Info | [33] | |||
| 72 | 3-(2-N-Pyrrolyl-acetamino)-rutaecarpine | Drug Info | [33] | |||
| 73 | 3-(2-N-Pyrrolyl-propionamino)-rutaecarpine | Drug Info | [33] | |||
| 74 | 3-(dimethylamino)phenyl phenylcarbamate | Drug Info | [11] | |||
| 75 | 3-chlorophenyl 10H-phenothiazine-10-carboxylate | Drug Info | [30] | |||
| 76 | 3-isopr-sal-cyclosal-d4TMP | Drug Info | [34] | |||
| 77 | 3-methoxyphenyl 10H-phenothiazine-10-carboxylate | Drug Info | [30] | |||
| 78 | 3-phenyl-cyclosal-d4TMP | Drug Info | [34] | |||
| 79 | 3-sal-cyclosal-d4TMP | Drug Info | [34] | |||
| 80 | 3-[10-(benzylmethylamino)decyloxy]xanthen-9-one | Drug Info | [35] | |||
| 81 | 3-[11-(benzylmethylamino)undecyloxy]xanthen-9-one | Drug Info | [35] | |||
| 82 | 3-[12-(benzylmethylamino)dodecyloxy]xanthen-9-one | Drug Info | [35] | |||
| 83 | 3-[3-(benzylmethylamino)propoxy]xanthen-9-one | Drug Info | [35] | |||
| 84 | 3-[4-(benzylmethylamino)butoxy]xanthen-9-one | Drug Info | [35] | |||
| 85 | 3-[5-(benzylmethylamino)pentyloxy]xanthen-9-one | Drug Info | [35] | |||
| 86 | 3-[6-(benzylmethylamino)hexyloxy]xanthen-9-one | Drug Info | [35] | |||
| 87 | 3-[7-(benzylmethylamino)-heptyloxy]xanthen-9-one | Drug Info | [35] | |||
| 88 | 3-[8-(benzylmethylamino)octyloxy]xanthen-9-one | Drug Info | [35] | |||
| 89 | 3-[9-(benzylmethylamino)nonyloxy]xanthen-9-one | Drug Info | [35] | |||
| 90 | 4-chlorophenyl 10H-phenothiazine-10-carboxylate | Drug Info | [30] | |||
| 91 | 4-ISOPROPYLPHENSERINE | Drug Info | [36], [37] | |||
| 92 | 4-methoxyphenyl 10H-phenothiazine-10-carboxylate | Drug Info | [30] | |||
| 93 | 4-[4-(benzyloxy)piperidino]butyl benzoate | Drug Info | [38] | |||
| 94 | 4-[4-(benzyloxy)piperidino]butyl-3-chlorobenzoate | Drug Info | [38] | |||
| 95 | 4-[4-(benzyloxy)piperidino]butyl-3-fluorobenzoate | Drug Info | [38] | |||
| 96 | 4-[4-(benzyloxy)piperidino]butyl-4-chlorobenzoate | Drug Info | [38] | |||
| 97 | 4-[4-(benzyloxy)piperidino]butyl-4-fluorobenzoate | Drug Info | [38] | |||
| 98 | 4-[4-(benzyloxy)piperidino]butyl-4-nitrobenzoate | Drug Info | [38] | |||
| 99 | 5,6-dinitroacenaphthoquinone | Drug Info | [26] | |||
| 100 | 5-methyl-cyclosal-d4TMP | Drug Info | [34] | |||
| 101 | 6-chlorotacrine hydrochloride | Drug Info | [39] | |||
| 102 | 6-hydroxy-1,2,9-trimethyl-9H-beta-carbolin-2-ium | Drug Info | [40] | |||
| 103 | 6-hydroxy-1,2-dimethyl-9H-beta-carbolin-2-ium | Drug Info | [40] | |||
| 104 | 6-hydroxy-2-methyl-9H-beta-carbolin-2-ium | Drug Info | [40] | |||
| 105 | 6-methoxy-1,2-dimethyl-9H-beta-carbolin-2-ium | Drug Info | [40] | |||
| 106 | 6-methoxy-1,9-dimethyl-9H-pyrido[3,4-b]indole | Drug Info | [40] | |||
| 107 | 6-methoxy-2-methyl-9H-beta-carbolin-2-ium | Drug Info | [40] | |||
| 108 | 7-Oxo-7H-dibenzo[de,g]quinoline | Drug Info | [41] | |||
| 109 | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | Drug Info | [20] | |||
| 110 | 9-Ethyl-2-methyl-beta-carboline-2-ium iodide | Drug Info | [31] | |||
| 111 | 9-N-Phenylmethylamino-Tacrine | Drug Info | [29] | |||
| 112 | 9-O-[2-(Phenylol-1-yloxy)ethyl]berberine bromide | Drug Info | [42] | |||
| 113 | 9-O-[2-(Phenylol-1-yloxy)hexyl]berberine bromide | Drug Info | [42] | |||
| 114 | 9-O-[3-(2-Pyridinoxyl)butyl]-berberine bromide | Drug Info | [25] | |||
| 115 | 9-O-[3-(4-Bromo-phenoxyl)butyl]-berberine bromide | Drug Info | [25] | |||
| 116 | 9-O-[3-(4-Nitro-phenoxyl)butyl]-berberine bromide | Drug Info | [25] | |||
| 117 | 9-O-[3-(Phenylamino)propyl]-berberine bromide | Drug Info | [25] | |||
| 118 | 9-O-[3-(Phenylol-1-yloxy)propyl]berberine bromide | Drug Info | [42] | |||
| 119 | 9-O-[4-(Phenylol-1-yloxy)butyl]berberine bromide | Drug Info | [42] | |||
| 120 | 9-O-[5-(Phenylol-1-yloxy)pentyl]berberine bromide | Drug Info | [42] | |||
| 121 | 9-[5-(beta-Carboline-9-yl)pentyl]-beta-carboline | Drug Info | [31] | |||
| 122 | 9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline | Drug Info | [31] | |||
| 123 | ACENAPHTHOQUINONE | Drug Info | [26] | |||
| 124 | Alpha-D-Mannose | Drug Info | [29] | |||
| 125 | Anthracen-10-yl(10H-phenothiazin-10-yl)methanone | Drug Info | [19] | |||
| 126 | AS-1397 | Drug Info | [43] | |||
| 127 | BENZOQUINONE | Drug Info | [32] | |||
| 128 | Beta-D-Mannose | Drug Info | [29] | |||
| 129 | Bis-7-tacrine | Drug Info | [44] | |||
| 130 | Bis-cyclosal-d4TMP | Drug Info | [34] | |||
| 131 | Butanoic Acid | Drug Info | [29] | |||
| 132 | Butyl 10H-phenothiazine-10-carboxylate | Drug Info | [30] | |||
| 133 | Butyrylthiocholine | Drug Info | [45] | |||
| 134 | CAPROCTAMINE | Drug Info | [46] | |||
| 135 | CHF-2819 | Drug Info | [47] | |||
| 136 | CHLORANIL | Drug Info | [32] | |||
| 137 | Cyclopentyl 10H-phenothiazine-10-carboxylate | Drug Info | [30] | |||
| 138 | Cyclosal-d4TMP | Drug Info | [34] | |||
| 139 | DEMETHYLDEBROMOFLUSTRAMINE B | Drug Info | [17] | |||
| 140 | Diethylphosphono Group | Drug Info | [29] | |||
| 141 | Dodecanesulfonate ion | Drug Info | [20] | |||
| 142 | Ethyl Dihydrogen Phosphate | Drug Info | [29] | |||
| 143 | ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE | Drug Info | [20] | |||
| 144 | Fucose | Drug Info | [29] | |||
| 145 | HALOXYSTEROL A | Drug Info | [21] | |||
| 146 | HALOXYSTEROL B | Drug Info | [21] | |||
| 147 | Haloxysterol C | Drug Info | [21] | |||
| 148 | Haloxysterol D | Drug Info | [21] | |||
| 149 | Huprine X | Drug Info | [48] | |||
| 150 | Huprine-Tacrine Heterodimer | Drug Info | [49] | |||
| 151 | Iso-OMPA | Drug Info | [50] | |||
| 152 | Isopropyl 10H-phenothiazine-10-carboxylate | Drug Info | [30] | |||
| 153 | Isosorbide-2-(benzylcarbamate)-5-benzoate | Drug Info | [50] | |||
| 154 | Isosorbide-2-(benzylcarbamate)-5-mononitrate | Drug Info | [50] | |||
| 155 | Isosorbide-2-(butylcarbamate)-5-benzoate | Drug Info | [50] | |||
| 156 | Isosorbide-2-(butylcarbamate)-5-mononitrate | Drug Info | [50] | |||
| 157 | Isosorbide-2-(cyclohexylcarbamate)-5-mononitrate | Drug Info | [50] | |||
| 158 | Isosorbide-2-(ethylcarbamate)-5-mononitrate | Drug Info | [50] | |||
| 159 | Isosorbide-2-(methylcarbamate)-5-benzoate | Drug Info | [50] | |||
| 160 | Isosorbide-2-(methylcarbamate)-5-mononitrate | Drug Info | [50] | |||
| 161 | Isosorbide-2-(propylcarbamate)-5-mononitrate | Drug Info | [50] | |||
| 162 | Isosorbide-2-benzyl carbamate | Drug Info | [51] | |||
| 163 | Isosorbide-2-benzylcarbamate-5-(o-toluate) | Drug Info | [51] | |||
| 164 | Isosorbide-2-benzylcarbamate-5-acetate | Drug Info | [50] | |||
| 165 | Isosorbide-2-benzylcarbamate-5-cyclopentanoate | Drug Info | [50] | |||
| 166 | Isosorbide-2-benzylcarbamate-5-cyclopropanoate | Drug Info | [50] | |||
| 167 | Isosorbide-2-benzylcarbamate-5-isonicotinate | Drug Info | [50] | |||
| 168 | Isosorbide-2-benzylcarbamate-5-nicotinate | Drug Info | [50] | |||
| 169 | Isosorbide-2-benzylcarbamate-5-pentanoate | Drug Info | [50] | |||
| 170 | Isosorbide-2-benzylcarbamate-5-propionate | Drug Info | [50] | |||
| 171 | Isosorbide-2-benzylcarbamate-5-triflate | Drug Info | [50] | |||
| 172 | Isosorbide-di-(benzylcarbamate) | Drug Info | [52] | |||
| 173 | Isosorbide-di-(butylcarbamate) | Drug Info | [52] | |||
| 174 | Isosorbide-di-(ethylcarbamate) | Drug Info | [52] | |||
| 175 | Isosorbide-di-(propylcarbamate) | Drug Info | [52] | |||
| 176 | LAWSARITOL | Drug Info | [21] | |||
| 177 | LIPOCRINE | Drug Info | [53] | |||
| 178 | M-tolyl 10H-phenothiazine-10-carboxylate | Drug Info | [30] | |||
| 179 | MEMOQUIN | Drug Info | [53] | |||
| 180 | Methyl 10H-phenothiazine-10-carboxylate | Drug Info | [30] | |||
| 181 | Methyl Phosphinic Acid | Drug Info | [29] | |||
| 182 | MF-8623 | Drug Info | [36] | |||
| 183 | Monoisopropyl Ester Phosphonic Acid Group | Drug Info | [29] | |||
| 184 | Morpholino(1'H-phenothiazin-1'-yl)methanone | Drug Info | [18] | |||
| 185 | N,N'-(1',10'-decylene)-bis-(-)-nor-MEP | Drug Info | [10] | |||
| 186 | N,N'-(1',11'-undecydene)-bis-(-)-nor-MEP | Drug Info | [10] | |||
| 187 | N,N'-(1',12'-dodecydene)-bis-(-)-nor-MEP | Drug Info | [10] | |||
| 188 | N,N'-(1',2'-ethylene)-bis-(-)-nor-MEP | Drug Info | [10] | |||
| 189 | N,N'-(1',3'-propylene)-bis-(-)-nor-MEP | Drug Info | [10] | |||
| 190 | N,N'-(1',4'-butylene)-bis-(-)-nor-MEP | Drug Info | [10] | |||
| 191 | N,N'-(1',5'-pentylene)-bis-(-)-nor-MEP | Drug Info | [10] | |||
| 192 | N,N'-(1',6-hexylene)-bis-(-)-nor-MEP | Drug Info | [10] | |||
| 193 | N,N'-(1',7'-heptylene)-bis-(-)-nor-MEP | Drug Info | [10] | |||
| 194 | N,N'-(1',8'-octylene)-bis-(-)-nor-MEP | Drug Info | [10] | |||
| 195 | N,N'-(1',9'-nonylene)-bis-(-)-nor-MEP | Drug Info | [10] | |||
| 196 | N,N-Diethyl-1'H-phenothiazine-1'-carboxamide | Drug Info | [18] | |||
| 197 | N,N-Diisopropyl-1'H-phenothiazine-1'-carboxamide | Drug Info | [18] | |||
| 198 | N,N-Dimethyl-1'H-phenothiazine-1'-carboxamide | Drug Info | [18] | |||
| 199 | N,N-Dipropyl-1'H-phenothiazine-1'-carboxamide | Drug Info | [18] | |||
| 200 | N-(Adamant-1-yl)-1'H-phenothiazine-1'-carboxamide | Drug Info | [18] | |||
| 201 | N-Benzyl-1'H-phenothiazine-1'-carboxamide | Drug Info | [18] | |||
| 202 | N-benzyl-2-thiomorpholinopyrimidin-4-amine | Drug Info | [44] | |||
| 203 | N-Cyclobutyl-1'H-phenothiazine-1'-carboxamide | Drug Info | [18] | |||
| 204 | N-Cyclohexyl-1'H-phenothiazine-1'-carboxamide | Drug Info | [18] | |||
| 205 | N-Cyclopentyl-1'H-phenothiazine-1'-carboxamide | Drug Info | [18] | |||
| 206 | N-Isopropyl-1'H-phenothiazine-1'-carboxamide | Drug Info | [18] | |||
| 207 | N-Methyl-1'H-phenothiazine-1'-carboxamide | Drug Info | [18] | |||
| 208 | N-n-heptyl-7-methoxytacrine hydrochloride | Drug Info | [54] | |||
| 209 | N-n-hexyl-7-methoxytacrine hydrochloride | Drug Info | [54] | |||
| 210 | N-n-nonyl-7-methoxytacrine hydrochloride | Drug Info | [54] | |||
| 211 | N-n-octyl-7-methoxytacrine hydrochloride | Drug Info | [54] | |||
| 212 | N-n-pentyl-7-methoxytacrine hydrochloride | Drug Info | [54] | |||
| 213 | N-Neopentyl-1'H-phenothiazine-1'-carboxamide | Drug Info | [18] | |||
| 214 | N-o-Tolyl-1'H-phenothiazine-1'-carboxamide | Drug Info | [18] | |||
| 215 | N-p-Tolyl-1'H-phenothiazine-1'-carboxamide | Drug Info | [18] | |||
| 216 | N-phenethyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine | Drug Info | [44] | |||
| 217 | N-Phenyl-1'H-phenothiazine-1'-carboxamide | Drug Info | [18] | |||
| 218 | N-tert-Butyl-1'H-phenothiazine-1'-carboxamide | Drug Info | [18] | |||
| 219 | Naphthalen-1-yl 10H-phenothiazine-10-carboxylate | Drug Info | [30] | |||
| 220 | Naphthalen-1-yl(10H-phenothiazin-10-yl)methanone | Drug Info | [19] | |||
| 221 | Naphthalen-2-yl 10H-phenothiazine-10-carboxylate | Drug Info | [30] | |||
| 222 | Naphthalen-2-yl(10H-phenothiazin-10-yl)methanone | Drug Info | [19] | |||
| 223 | NOSTOCARBOLINE | Drug Info | [56] | |||
| 224 | NP-0336 | Drug Info | [55] | |||
| 225 | NSC-23180 | Drug Info | [26] | |||
| 226 | O-tolyl 10H-phenothiazine-10-carboxylate | Drug Info | [30] | |||
| 227 | P-tolyl 10H-phenothiazine-10-carboxylate | Drug Info | [30] | |||
| 228 | Phenanthrene-9,10-dione | Drug Info | [26] | |||
| 229 | Phenyl 10H-phenothiazine-10-carboxylate | Drug Info | [30] | |||
| 230 | Tert-butyl 10H-phenothiazine-10-carboxylate | Drug Info | [30] | |||
| 231 | TOLSERINE | Drug Info | [12] | |||
| 232 | VAGANINE D | Drug Info | [57] | |||
| 233 | XANTHOSTIGMINE | Drug Info | [58] | |||
| Modulator | [+] 5 Modulator drugs | + | ||||
| 1 | JES-9501 | Drug Info | [6] | |||
| 2 | Plasma derived human butyrylcholinesterase | Drug Info | [13] | |||
| 3 | Protexia | Drug Info | [14] | |||
| 4 | Non-PEGylated butyrylcholinesterase | Drug Info | [55] | |||
| 5 | Recombinant human butyrylcholinesterase | Drug Info | [55] | |||
| Reactivator | [+] 1 Reactivator drugs | + | ||||
| 1 | Oxime derivative 1 | Drug Info | [15] | |||
| Chemical Structure based Activity Landscape of Target | Top |
|---|---|
| Drug Property Profile of Target | Top | |
|---|---|---|
| (1) Molecular Weight (mw) based Drug Clustering | (2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering | |
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| (3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering | (4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering | |
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| (5) Rotatable Bond Count (rotbonds) based Drug Clustering | (6) Topological Polar Surface Area (polararea) based Drug Clustering | |
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| "RO5" indicates the cutoff set by lipinski's rule of five; "D123AB" colored in GREEN denotes the no violation of any cutoff in lipinski's rule of five; "D123AB" colored in PURPLE refers to the violation of only one cutoff in lipinski's rule of five; "D123AB" colored in BLACK represents the violation of more than one cutoffs in lipinski's rule of five | ||
| Co-Targets | Top | |||||
|---|---|---|---|---|---|---|
| Co-Targets | ||||||
| Target Poor or Non Binders | Top | |||||
|---|---|---|---|---|---|---|
| Target Poor or Non Binders | ||||||
| Target Affiliated Biological Pathways | Top | |||||
|---|---|---|---|---|---|---|
| Panther Pathway | [+] 3 Panther Pathways | + | ||||
| 1 | Muscarinic acetylcholine receptor 1 and 3 signaling pathway | |||||
| 2 | Muscarinic acetylcholine receptor 2 and 4 signaling pathway | |||||
| 3 | Nicotinic acetylcholine receptor signaling pathway | |||||
| WikiPathways | [+] 1 WikiPathways | + | ||||
| 1 | Irinotecan Pathway | |||||
| Target-Related Models and Studies | Top | |||||
|---|---|---|---|---|---|---|
| Target Validation | ||||||
| References | Top | |||||
|---|---|---|---|---|---|---|
| REF 1 | Synergistic effect of acidosis and succinylcholine-induced hyperkalemia in spinal cord transected rats. Acta Anaesthesiol Scand. 1984 Feb;28(1):87-90. | |||||
| REF 2 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015 | |||||
| REF 3 | Pharmacology, clinical uses, and adverse effects of ceruletide, a cholecystokinetic agent. Pharmacotherapy. 1982 Jul-Aug;2(4):223-34. | |||||
| REF 4 | Neurotrophic and neuroprotective actions of (-)- and (+)-phenserine, candidate drugs for Alzheimer's disease. PLoS One. 2013;8(1):e54887. | |||||
| REF 5 | Eptastigmine: ten years of pharmacology, toxicology, pharmacokinetic, and clinical studies. CNS Drug Rev. 2001 Winter;7(4):369-86. | |||||
| REF 6 | Dehydroevodiamine attenuates beta-amyloid peptide-induced amnesia in mice. Eur J Pharmacol. 2001 Feb 16;413(2-3):221-5. | |||||
| REF 7 | ClinicalTrials.gov (NCT00333528) A Study of Plasma-Derived Human Butyrylcholinesterase Administered Intramuscularly. U.S. National Institutes of Health. | |||||
| REF 8 | ClinicalTrials.gov (NCT00744146) First Time in Human Study of Protexia. U.S. National Institutes of Health. | |||||
| REF 9 | Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA) | |||||
| REF 10 | Bis-(-)-nor-meptazinols as novel nanomolar cholinesterase inhibitors with high inhibitory potency on amyloid-beta aggregation. J Med Chem. 2008 Apr 10;51(7):2027-36. | |||||
| REF 11 | Long-acting anticholinesterases for myasthenia gravis: synthesis and activities of quaternary phenylcarbamates of neostigmine, pyridostigmine and physostigmine. Bioorg Med Chem. 2010 Jul 1;18(13):4687-93. | |||||
| REF 12 | Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine. J Med Chem. 2006 Apr 6;49(7):2174-85. | |||||
| REF 13 | Acetylcholinesterase-Fc Fusion Protein (AChE-Fc): A Novel Potential Organophosphate Bioscavenger with Extended Plasma Half-Life. Bioconjug Chem. 2015 Aug 19;26(8):1753-8. | |||||
| REF 14 | In vitro and in vivo characterization of recombinant human butyrylcholinesterase (Protexia) as a potential nerve agent bioscavenger. Chem Biol Interact. 2005 Dec 15;157-158:363-5. | |||||
| REF 15 | A patent review of butyrylcholinesterase inhibitors and reactivators 2010-2017.Expert Opin Ther Pat. 2018 Jun;28(6):455-465. | |||||
| REF 16 | Recent advances in acetylcholinesterase Inhibitors and Reactivators: an update on the patent literature (2012-2015).Expert Opin Ther Pat. 2017 Apr;27(4):455-476. | |||||
| REF 17 | Synthesis and biological evaluation of (-)- and (+)-debromoflustramine B and its analogues as selective butyrylcholinesterase inhibitors. J Med Chem. 2008 Sep 11;51(17):5271-84. | |||||
| REF 18 | Differential binding of phenothiazine urea derivatives to wild-type human cholinesterases and butyrylcholinesterase mutants. Bioorg Med Chem. 2010 Mar 15;18(6):2232-2244. | |||||
| REF 19 | Selective reversible inhibition of human butyrylcholinesterase by aryl amide derivatives of phenothiazine. Bioorg Med Chem. 2007 Oct 1;15(19):6367-78. | |||||
| REF 20 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||||
| REF 21 | Isolation and cholinesterase-inhibition studies of sterols from Haloxylon recurvum. Bioorg Med Chem Lett. 2006 Feb;16(3):573-80. | |||||
| REF 22 | Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely... J Med Chem. 2008 Jun 12;51(11):3154-70. | |||||
| REF 23 | Preparation and in vitro screening of symmetrical bispyridinium cholinesterase inhibitors bearing different connecting linkage-initial study for My... Bioorg Med Chem Lett. 2010 Mar 1;20(5):1763-6. | |||||
| REF 24 | Analysis of the inhibition of mammalian carboxylesterases by novel fluorobenzoins and fluorobenzils. Bioorg Med Chem. 2007 Jun 1;15(11):3801-17. | |||||
| REF 25 | Synthesis and biological evaluation of a new series of berberine derivatives as dual inhibitors of acetylcholinesterase and butyrylcholinesterase. Bioorg Med Chem. 2010 Jun 15;18(12):4475-84. | |||||
| REF 26 | Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. J Med Chem. 2007 Nov 15;50(23):5727-34. | |||||
| REF 27 | Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. J Med Chem. 2007 Apr 19;50(8):1876-85. | |||||
| REF 28 | Homobivalent quinazolinimines as novel nanomolar inhibitors of cholinesterases with dirigible selectivity toward butyrylcholinesterase. J Med Chem. 2006 Sep 7;49(18):5411-3. | |||||
| REF 29 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||||
| REF 30 | Carbamates with differential mechanism of inhibition toward acetylcholinesterase and butyrylcholinesterase. J Med Chem. 2008 Jul 24;51(14):4200-12. | |||||
| REF 31 | Bivalent beta-carbolines as potential multitarget anti-Alzheimer agents. J Med Chem. 2010 May 13;53(9):3611-7. | |||||
| REF 32 | Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. J Med Chem. 2005 Apr 21;48(8):2906-15. | |||||
| REF 33 | Synthesis and evaluation of novel rutaecarpine derivatives and related alkaloids derivatives as selective acetylcholinesterase inhibitors. Eur J Med Chem. 2010 Apr;45(4):1415-23. | |||||
| REF 34 | Bis-cycloSal-d4T-monophosphates: drugs that deliver two molecules of bioactive nucleotides. J Med Chem. 2007 Mar 22;50(6):1335-46. | |||||
| REF 35 | Cholinesterase inhibitors: SAR and enzyme inhibitory activity of 3-[omega-(benzylmethylamino)alkoxy]xanthen-9-ones. Bioorg Med Chem. 2007 Jan 1;15(1):575-85. | |||||
| REF 36 | A new therapeutic target in Alzheimer's disease treatment: attention to butyrylcholinesterase. Curr Med Res Opin. 2001;17(3):159-65. | |||||
| REF 37 | Design, synthesis, evaluation and QSAR analysis of N(1)-substituted norcymserine derivatives as selective butyrylcholinesterase inhibitors. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1718-20. | |||||
| REF 38 | Synthesis, in vitro assay, and molecular modeling of new piperidine derivatives having dual inhibitory potency against acetylcholinesterase and Abe... Bioorg Med Chem. 2007 Oct 15;15(20):6596-607. | |||||
| REF 39 | Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem. 2009 Sep 10;52(17):5365-79. | |||||
| REF 40 | 6-Hydroxy- and 6-methoxy-beta-carbolines as acetyl- and butyrylcholinesterase inhibitors. Bioorg Med Chem Lett. 2006 Nov 15;16(22):5840-3. | |||||
| REF 41 | Synthesis, biological evaluation and molecular modeling of oxoisoaporphine and oxoaporphine derivatives as new dual inhibitors of acetylcholinester... Eur J Med Chem. 2009 Jun;44(6):2523-32. | |||||
| REF 42 | Synthesis, biological evaluation, and molecular modeling of berberine derivatives as potent acetylcholinesterase inhibitors. Bioorg Med Chem. 2010 Feb;18(3):1244-51. | |||||
| REF 43 | Novel heterobivalent tacrine derivatives as cholinesterase inhibitors with notable selectivity toward butyrylcholinesterase. J Med Chem. 2006 Dec 14;49(25):7540-4. | |||||
| REF 44 | Design, synthesis and evaluation of 2,4-disubstituted pyrimidines as cholinesterase inhibitors. Bioorg Med Chem Lett. 2010 Jun 15;20(12):3606-9. | |||||
| REF 45 | DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41. | |||||
| REF 46 | Structure-activity relationships of acetylcholinesterase noncovalent inhibitors based on a polyamine backbone. 4. Further investigation on the inne... J Med Chem. 2008 Nov 27;51(22):7308-12. | |||||
| REF 47 | Novel anticholinesterases based on the molecular skeletons of furobenzofuran and methanobenzodioxepine. J Med Chem. 2005 Feb 24;48(4):986-94. | |||||
| REF 48 | Discovery of huperzine A-tacrine hybrids as potent inhibitors of human cholinesterases targeting their midgorge recognition sites. J Med Chem. 2006 Jun 1;49(11):3421-5. | |||||
| REF 49 | Synthesis and pharmacological evaluation of huprine-tacrine heterodimers: subnanomolar dual binding site acetylcholinesterase inhibitors. J Med Chem. 2005 Mar 24;48(6):1701-4. | |||||
| REF 50 | Isosorbide-2-carbamate esters: potent and selective butyrylcholinesterase inhibitors. J Med Chem. 2008 Oct 23;51(20):6400-9. | |||||
| REF 51 | Isosorbide-2-benzyl carbamate-5-salicylate, a peripheral anionic site binding subnanomolar selective butyrylcholinesterase inhibitor. J Med Chem. 2010 Feb 11;53(3):1190-9. | |||||
| REF 52 | Isosorbide-based cholinesterase inhibitors; replacement of 5-ester groups leading to increased stability. Bioorg Med Chem. 2010 Feb;18(3):1045-53. | |||||
| REF 53 | Toward a rational design of multitarget-directed antioxidants: merging memoquin and lipoic acid molecular frameworks. J Med Chem. 2009 Dec 10;52(23):7883-6. | |||||
| REF 54 | Synthesis and in vitro evaluation of N-alkyl-7-methoxytacrine hydrochlorides as potential cholinesterase inhibitors in Alzheimer disease. Bioorg Med Chem Lett. 2010 Oct 15;20(20):6093-5. | |||||
| REF 55 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2471). | |||||
| REF 56 | Nostocarboline: isolation and synthesis of a new cholinesterase inhibitor from Nostoc 78-12A. J Nat Prod. 2005 Dec;68(12):1793-5. | |||||
| REF 57 | Steroidal alkaloids from the leaves of Sarcococca coriacea of Nepalese origin. J Nat Prod. 2001 Jun;64(6):842-4. | |||||
| REF 58 | Acetylcholinesterase inhibitors: synthesis and structure-activity relationships of omega-[N-methyl-N-(3-alkylcarbamoyloxyphenyl)- methyl]aminoalkox... J Med Chem. 1998 Oct 8;41(21):3976-86. | |||||
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