Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T60330 | Target Info | |||
| Target Name | P2X purinoceptor 4 (P2RX4) | ||||
| Synonyms |
P2X4; P2RX4
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| Target Type | Clinical trial Target | ||||
| Gene Name | P2RX4 | ||||
| Biochemical Class | ATP-gated P2X receptor cation channel | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 35 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Carbamazepine
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|
Approved | Compound Info | ||
| Synonyms |
Carbamazepine (iv, epilepsy); Carbamazepine (iv, epilepsy), Lundbeck; Carbamazepine (iv, epilepsy), Ovation Pharmaceuticals
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Licarbazepine
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Discontinued in Phase 3 | Compound Info | ||
| Synonyms |
GP 47779; GP-47779; (-)-10,11-Dihydro-10-hydroxy-5H-dibenz(b,f)azepine-5-carboxamide; 10,11-Dihydro-10-hydroxy-5H-dibenz(b,f)azepine-5-carboxamide; 10,11-Dihydro-10-hydroxycarbamazepine; 10-HYDROXY-CARBAMAZEPINE; 10-Hydroxy-10,11-dihydro-5H-dibenz(b,f)azepine-5-carboxamide; 10-Hydroxy-10,11-dihydrocarbamazepine; 10-Hydroxycarbamazepine; 10-Hydroxycarbazepine; 10-OH-Carbazepine; 5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
RB 2
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL223344; Cibacron Blue 3GA Agarose; Cibacron Blue 3GA Agarose, saline suspension; Cibacron Blue 3GA Agarose, Type 300, saline suspension; Cibacron Blue 3GA Agarose, Type 100, saline suspension; Cibacron Blue 3GA Agarose, saline suspension, Fast flow; Cibacron Blue 3GA Agarose, Type 1000, saline suspension; Cibacron Blue 3GA Agarose, Type 3000, saline suspension; Cibacron Blue 3GA Agarose, Type 3000-CL, saline suspension; Cibacron Blue 3GA Agarose, Type 3000-L, lyophilized powder
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| Activity |
EC50 = 128000 nM
|
[2] | |||
| Compound Name |
2-Azatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,9,12,14,16,18-nonaene-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103392; BDBM50446053
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| Activity |
IC50 = 51400 nM
|
[1] | |||
| Compound Name |
Methyl phenoxazine-10-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2180135; BDBM50399167
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| Activity |
IC50 = 52300 nM
|
[3] | |||
| Compound Name |
11-N,11-N-Diethyl-1-N,1-N-di(propan-2-yl)benzo[b][1]benzazepine-1,11-dicarboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103387; BDBM50446058
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| Activity |
IC50 = 52500 nM
|
[1] | |||
| Compound Name |
2-(Trifluoromethyl)benzo[b][1]benzazepine-11-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103390; BDBM50446055
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| Activity |
IC50 = 54600 nM
|
[1] | |||
| Compound Name |
3-Hydroxycarbamazepine
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Investigative | Compound Info | ||
| Synonyms |
3-Hydroxy carbamazepine; 2-hydroxybenzo[b][1]benzazepine-11-carboxamide; 5H-Dibenz(b,f)azepine-5-carboxamide, 3-hydroxy-; UNII-PDG5O25MKO; PDG5O25MKO; CHEMBL3103395; 3-Hydroxy-5H-dibenz(b,f)azepine-5-carboxamide; CTK2F5471; DTXSID80218202; ZINC6117175; BDBM50446049; AKOS027322773; 3-Hydroxycarbamazepine, analytical standard; FT-0669451; C16602; 3-Hydroxy-5H-dibenzo[b,f]azepine-5-carboxamide; 011H676; Q27149641
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| Activity |
IC50 = 72800 nM
|
[1] | |||
| Compound Name |
N-Benzylbenzo[b][1]benzazepine-11-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103402; BDBM50446083
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| Activity |
IC50 = 78900 nM
|
[1] | |||
| Compound Name |
2-Methylbenzo[b][1]benzazepine-11-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103388; SCHEMBL19263427; BDBM50446057
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Benzo[b][1]benzazepin-11-yl-(4-hydroxypiperidin-1-yl)methanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103380; BDBM50446065
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
N,N-Dimethylbenzo[b][1]benzazepine-11-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103373
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Benzo[b][1]benzazepin-11-yl(morpholin-4-yl)methanone
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Investigative | Compound Info | ||
| Synonyms |
ChemDiv1_023881; Oprea1_010097; Oprea1_756069; CHEMBL3103403; SCHEMBL11113448; HMS654N11; ZINC271503; STK831291; AKOS003670115; MCULE-7440138558; ST50981016; dibenzo[b,f]azepin-5-yl morpholin-4-yl ketone; SR-01000465382; SR-01000465382-1; 5H-dibenzo[b,f]azepin-5-yl(morpholin-4-yl)methanone
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
N-Methylbenzo[b][1]benzazepine-11-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
Dibenzo[b,f]azepine-5-carboxylic acid methylamide; N-methyl-5H-dibenzo[b,f]azepine-5-carboxamide; ChemDiv1_023619; Oprea1_156446; Oprea1_227500; MLS001210449; CHEMBL1594958; SCHEMBL11113845; HMS654B13; HMS2837I15; ZINC173775; STK833440; AKOS000548748; MCULE-7649301067; SMR000517189; SR-01000465384; SR-01000465384-1
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
5-Ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
MLS000532983; SMR000140421; 10-ethoxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide; Oprea1_877409; CHEMBL1359461; BDBM59268; cid_2847675; HMS1583A01; HMS2485K03; STK833485; AKOS005623357; MCULE-5258538007; SR-01000210109; SR-01000210109-1
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
5-Acetyl-5H-dibenz[b,f]azepine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103397; 5-Acetyl-5H-dibenzo[b,f]azepine; 5-acetyl-5h-dibenz(b,f)azepine; 1-benzo[b][1]benzazepin-11-ylethanone; Iminostilbene acetate; Maybridge4_003172; 5-acetyldibenzo[b,f]azepine; SCHEMBL7980250; N-acetyl-5H-dibenzo[b,f]azepine; HMS1530A04; ZINC4336050; 5-Acetyl-5H-dibenzo[b,f]azepine #; BDBM50446082; CCG-41494; AKOS024359391; MCULE-3363691179; ST50988896; 1-(11H-benzo[b][1]benzazepin-11-yl)-ethanone; SR-01000631565-1; BRD-K45302550-001-01-4
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
N-[3-(Dimethylamino)propyl]-5H-dibenzo[b,f]azepine-5-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1739848; ChemDiv1_019764; HMS643C08; ZINC4426905; BDBM50446075; AKOS000549193; CCG-104477; MCULE-4739597331; AB00086168-01
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| Activity |
IC50 = 100000 nM
|
[1] | |||
| Compound Name |
10,11-Dihydrocarbamazepine
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Investigative | Compound Info | ||
| Synonyms |
10,11-Dihydro-5H-dibenzo[b,f]azepine-5-carboxamide; Dihydrocarbamazepine; 5,6-Dihydrobenzo[b][1]benzazepine-11-carboxamide; 5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-; UNII-EC017VA9FR; 10,11-Dihydro-5H-dibenz[b,f]azepine-5-carboxamide; GP 26-301; EC017VA9FR; CHEMBL41543; MFCD00005072; 5H-DIBENZ(b,f)AZEPINE-5-CARBOXAMIDE, 10,11-DIHYDRO-; 10,11-Dihydro-5H-dibenz(b,f)azepine-5-carboxamide; GP 26-301;GP-26-301;GP26-301; EINECS 222-649-0; 10,11-Dihydro-5H-dibenzo(b,f)azepine-5-carboxamide; BRN 0196969; Oprea1_404143; 4-20-00-03905 (Beilstein Handbook Reference); 10,11-Dihydro-carbamazepine; SCHEMBL1744688; Carbamazepine Related Compound A; DTXSID90189151; 10,11-Dihydrocarbamazepine, 99%; BCP08934; EX-A3334; ZINC3008650; BDBM50446087; STL450943; ZB1063; AKOS000577095; MCULE-5197094540; KS-00000S57; AK146901; SC-82443; ST044503; 10H,11H-dibenzo[b,f]azepine-5-carboxamide; EU-0076522; FT-0607181; 10,11-Dihydrocarbamazepine, analytical standard; SR-01000312724; SR-01000312724-1; Dibenzo[b,f]azepine, 10,11(5H)-dihydro-5-carbamyl-; Q27277101; 10,11-Dihydro-5H-dibenzo[b,f]azepine-5-carboxamide #; Carbamazepine impurity A, European Pharmacopoeia (EP) Reference Standard
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-Fluorocarbamazepine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2177626; SCHEMBL2615334; BDBM50446051
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-Methylpropyl benzo[b][1]benzazepine-11-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103400; BDBM50446078
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| Activity |
IC50 = 100000 nM
|
[1] | |||
| Compound Name |
11-Benzylbenzo[b][1]benzazepine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103399; SCHEMBL11621917; 5-Benzyl-5H-dibenzo[b,f]azepine; BDBM50446080
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Methyl benzo[b][1]benzazepine-11-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1716713; ChemDivAM_001116; ChemDiv1_024132; Cambridge id 6306885; Dibenzo[b,f]azepine-5-carboxylic acid methyl ester; MLS001209418; SCHEMBL9555484; HMS655I20; HMS2843P11; ZINC4119978; BDBM50446079; STK995796; AKOS000548788; MCULE-8028932341; methyl dibenzo[b,f]azepine-5-carboxylate; SMR000517714; methyl 5H-dibenzo[b,f]azepine-5-carboxylate; ST45060100; SR-01000470282; SR-01000470282-1
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| Activity |
IC50 = 100000 nM
|
[1] | |||
| Compound Name |
NF 023 hydrate
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Investigative | Compound Info | ||
| Synonyms |
NF 023; CHEMBL216504; NCGC00016181-01; Lopac-N-8652; HMS3262B21; MFCD11046019; AKOS024456482; CCG-208808; LP00810; NCGC00016181-02; NCGC00094143-01; NCGC00261495-01; EU-0100810; N 8652; J-001279; Q27087907
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N,N-Diethylpyrido[3,4-b][1]benzazepine-11-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103394; BDBM50446050
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| Activity |
IC50 = 100000 nM
|
[1] | |||
| Compound Name |
N,N-Bis(2-hydroxyethyl)benzo[b][1]benzazepine-11-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103379; BDBM50446066
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-Methoxybenzo[b][1]benzazepine-11-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103391; SCHEMBL11111881; BDBM50446054
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| Activity |
IC50 ~ 100000 nM
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[1] | |||
| Compound Name |
(S)-4-(2-(N-Methylisoquinoline-5-sulfonamido)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl)phenyl isoquinoline-5-sulfonate
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Investigative | Compound Info | ||
| Synonyms |
KN-62; UNII-63HM46XPOW; CHEMBL28324; KN 62; C38H35N5O6S2; 63HM46XPOW; 1-(N,O-Bis(5-isoquinolinesulfonyl)-N-methyl-L-tyrosyl)-4-phenylpiperazine; 1-[N,O-bis(5-Isoquinolinesulfonyl)-N-methyl-L-tyrosyl]-4-phenylpiperazine; 127191-97-3 (free base); MFCD00083180; 1-[N,O-bis-(5-Isoquinolinesulfonyl)-N-methyl-L-tyrosyl]-4-phenylpiperazine; SMR000058456; KN62 (S isomer); CBiol_002006; Lopac0_000620; MLS000028868; MLS006011204; SCHEMBL379481; GTPL4235; KN-62, >=95%, powder; Bio1_000292; Bio1_000781; Bio1_001270; HMS2235I16; HMS3648M08; HMS3886F15; BCP02708; EX-A2396; ZINC4262461; BDBM50087267; s7422; AKOS005145990; CCG-270407; CS-0516; KS-0000182F; NCGC00162398-01; NCGC00162398-02; NCGC00162398-03; NCGC00162398-04; AC-27760; HY-13290; AB0035818; SW219945-1; Y0221; S-7692; A805658; SR-01000721938; J-005472; KN-62 - CAS 127191-97-3; SR-01000721938-2; Q18386454; 1-[ N,O-Bis(5-isoquinolinesulfonyl)-N-methyltyrosyl]-4-phenylpiperazine; 1-[N,O-Bis(5-Isoquinolinesulfonyl)-N-Methyltyrosyl]-4-Phenylpiperazine; 1-[N,O-Bis(5-isoquinolinesulfonyl)N-methyltyrosyl]-4-phenylpiperazine; (1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-tyrosyl)-4phenylpiperazine); [(1-[N,O-bis(5-isoquinolinesulphonyl)-N-methyl-Ltyrosyl]-4-phenylpiperazine); 1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-tyrosyl)-4-phenylpiperazine
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| Activity |
EC50 = 100000 nM
|
[2] | |||
| Compound Name |
10-Methoxycarbamazepine
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Investigative | Compound Info | ||
| Synonyms |
10-methoxy-5h-dibenzo[b,f]azepine-5-carboxamide; 10-Methoxy Carbamazepine; 5-methoxybenzo[b][1]benzazepine-11-carboxamide; UNII-Q13NU3QR2X; 10-Methoxy-5H-dibenz[b,f]azepine-5-carboxamide; 10-Methoxy-5H-dibenz[b,f] azepine-5-carboxamide; Q13NU3QR2X; Oxcarbazepine EP IMpurity B;; CHEMBL3103368; 5H-Dibenz[b,f]azepine-5-carboxamide, 10-methoxy-; 5H-Dibenz(b,f)azepine-5-carboxamide, 10-methoxy-; 10-Methoxy-5H-dibenz(b,f)azepine-5-carboxamide; EINECS 249-189-3; SCHEMBL1572458; CTK4G1981; DTXSID90182884; KS-000025XB; ZINC5997761; ANW-44245; BDBM50446084; MFCD08460125; AKOS015852040; GS-3221; AK-93015; SC-18005; 10-Methoxydibenz[b,f]azepine-5-carboxamide; DB-047445; 10-Methoxycarbamazepine, analytical standard; AM20040095; FT-0638800; M-1459; 5-methoxy-11-benzo[b][1]benzazepinecarboxamide; 5H-Dibenz[b,f]azepine-5-carboxamide,10-methoxy-; 721M097; A819564; W-107032; (E)-10-methoxy-5H-dibenzo[b,f]azepine-5-carboxamide; Q27286876; 10-methoxy-dibenzo[b,f]azepine-5-carboxylic acid amide; 10-Methoxy-5H-dibenz[b,f]azepine-5-carboxamide, AldrichCPR; 10-Methoxy-5H-dibenz[b,f]azepine-5-carboxamide (10-Methoxycarbamazepine); 10-Methoxycarbamazepine (10-Methoxy-5H-dibenz[b,f]azepine-5-carboxamide)
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
N-[2-(Dimethylamino)ethyl]-N-methylbenzo[b][1]benzazepine-11-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103376
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
N-Pyridin-4-ylbenzo[b][1]benzazepine-11-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103384; BDBM50446061
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
N-Butylbenzo[b][1]benzazepine-11-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103374
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
N-(1-Methylpiperidin-4-yl)benzo[b][1]benzazepine-11-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103378
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-Fluorobenzo[b][1]benzazepine-11-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103389; BDBM50446056
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Dibenzo[b,f]azepin-5-yl-N-benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3103383; ZINC5900915; BDBM50446062; AKOS024379190; MCULE-4727751683; ST51024053
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| Activity |
IC50 = 100000 nM
|
[1] | |||
| Compound Name |
2-Hydroxycarbamazepine
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|
Investigative | Compound Info | ||
| Synonyms |
3-hydroxybenzo[b][1]benzazepine-11-carboxamide; UNII-1UT0PR32AJ; 1UT0PR32AJ; CHEMBL3103396; 2-Hydroxy Carbamazepine; 2-hydroxy-5h-dibenzo[b,f]azepine-5-carboxamide; SCHEMBL2738798; DTXSID20218201; ZINC6117174; BDBM50446048; FT-0669450; C16601; 5H-Dibenz(b,f)azepine-5-carboxamide, 2-hydroxy-; Q27149640
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| Activity |
IC50 = 146000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Carbamazepine derivatives with P2X4 receptor-blocking activity. Bioorg Med Chem. 2014 Feb 1;22(3):1077-88. | ||||
| REF 2 | Purine and pyrimidine (P2) receptors as drug targets. J Med Chem. 2002 Sep 12;45(19):4057-93. | ||||
| REF 3 | N-substituted phenoxazine and acridone derivatives: structure-activity relationships of potent P2X4 receptor antagonists. J Med Chem. 2012 Nov 26;55(22):9576-88. | ||||
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