Target Poor or Non Binder(s) Information

Target General Information

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Target ID

T84040

Target Info

Target Name

Transformation-sensitive protein p120 (TRPA1)

Synonyms

TRPA1; Ankyrin-like with transmembrane domains protein 1; ANKTM1

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Target Type

Successful Target

Gene Name

TRPA1

Biochemical Class

Transient receptor potential catioin channel

UniProt ID

O75762

Poor Binders of This Target (in total, 11 binders)

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Compound Name

Thymol

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Approved

Compound Info

Synonyms

THYMOL; 89-83-8; 2-Isopropyl-5-methylphenol; 5-Methyl-2-isopropylphenol; Thyme camphor; 3-p-Cymenol; 6-Isopropyl-m-cresol; 5-Methyl-2-(1-methylethyl)phenol; Thymic acid; 6-Isopropyl-3-methylphenol; Isopropyl cresol; m-Thymol; Phenol, 5-methyl-2-(1-methylethyl)-; p-Cymen-3-ol; 3-Hydroxy-p-cymene; 5-methyl-2-(propan-2-yl)phenol; 5-Methyl-2-isopropyl-1-phenol; 3-Methyl-6-isopropylphenol; p-Cymene, 3-hydroxy-; 1-Hydroxy-5-methyl-2-isopropylbenzene; m-Cresol, 6-isopropyl-; 6-Isopropyl-p-cresol; Thymol (natural); Phenol, 2-isopropyl-5-

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Activity

EC50 = 62500 nM

[1]

Compound Name

3-Oxovoacangine

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Investigative

Compound Info

Synonyms

CHEMBL3325765; BDBM50044110

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Activity

EC50 = 78000 nM

[2]

Compound Name

Cyclopropanecarboxamide, N-((2E)-3,7-dimethyl-2,6-octadien-1-yl)-

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Investigative

Compound Info

Synonyms

UNII-0T7H9YA5WZ; 0T7H9YA5WZ; CHEMBL3355308; N-3,7-Dimethyl-2,6-octadienyl cyclopropylcarboxamide, (2E)-; N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide; (2E)-N-3,7-dimethyl-2,6-octadienyl cyclopropylcarboxamide; N-[(2Z)-3,7-dimethylocta-2,6-dienyl]cyclopropanecarboxamide; FEMA No. 4267, E-; SCHEMBL787326; SCHEMBL787327; N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]cyclopropanecarboximidic acid; DTXSID70225440; Cyclopropanecarboxamide, N-((2E)-3,7-dimethyl-2,6-octadienyl)-; BDBM50037024; Q27237227; (e)-N-(3,7-dimethylocta-2,6-dienyl)cyclopropanecarboxamide; UNII-OE05UC6I23 component UKNMSFRSBQONET-FMIVXFBMSA-N; N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]cyclopropanecarboxamide

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Activity

EC50 = 83600 nM

[3]

Compound Name

2-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trienyl]sulfanylacetic acid

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Investigative

Compound Info

Synonyms

Farnesylthioacetic Acid (FTA); Farnesylthoiacetic acid; s-farnesylthioacetic acid; Spectrum5_001965; S-Farnesyl Thioacetic Acid; BSPBio_001334; BML2-D03; SCHEMBL1962463; CHEMBL1085358; C17H28O2S; HMS1361C16; HMS1791C16; HMS1989C16; HMS3402C16; HMS3649I05; ZINC2558855; 1765AH; IDI1_033804; NCGC00161315-01; NCGC00161315-02; NCGC00161315-03; NCGC00161315-04; SR-05000002102; J-006774; SR-05000002102-2; BRD-K63089472-001-02-7

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Activity

EC50 = 90000 nM

[1]

Compound Name

l-Menthol

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Investigative

Compound Info

Synonyms

(-)-menthol; Levomenthol; l-(-)-Menthol; Menthacamphor; Menthomenthol; Peppermint camphor; (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol; U.S.P. Menthol; Levomentholum; (1r,2s,5r)-(-)-menthol; Menthol racemic; Hexahydrothymol; d,l-Menthol; (-)-(1R,3R,4S)-Menthol; (-)-Menthyl alcohol; (1R)-(-)-Menthol; D-(-)-Menthol; (R)-(-)-Menthol; I-menthol; Racementhol; (-)-trans-p-Menthan-cis-ol; 1-Menthol; (L)-MENTHOL; Menthol(-); Menthol natural; rac-Menthol; NCI-C50000; UNII-BZ1R15MTK7; NSC 62788; Menthol, (1R,3R,4S)-(-)-; Racemic menthol; (1R,3R,4S)-(-)-MENTHOL; (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol; Menthol, dl-; 5-Methyl-2-(1-methylethyl)cyclohexanol; MFCD00062979; (1R,2S,5R)-rel-2-Isopropyl-5-methylcyclohexanol; BZ1R15MTK7; menthol crystals; CHEMBL470670; (1R,2S,5R)-Menthol; NSC2603; (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanol; Headache crystals; (1R,2S,5R)-2-isopropyl-5-methylcyclohexan-1-ol; FEMA No. 2665; L(-)-Menthol; (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexanol; Menthol (VAN); Racementholum; Thymomenthol; Racementol; l-Menthol (natural); NSC 2603; (+-)-Menthol; DSSTox_CID_2180; Menthol racemique; Levomenthol [INN:BAN]; Racementhol [INN:BAN]; DSSTox_RID_75798; DSSTox_RID_76516; DSSTox_GSID_20805; DSSTox_GSID_22180; Menthol natural, brazilian; Menthol, l-; Racementol [INN-Spanish]; Levomentholum [INN-Latin]; Menthol racemique [French]; Racementholum [INN-Latin]; L(-)-Menthol, 99.5%; Tra-kill tracheal mite killer; Menthol, cis-1,3,trans-1,4-; CCRIS 375; l-Menthol (TN); CCRIS 3728; CCRIS 4666; HSDB 5662; (1R,2S,5S)-2-Isopropyl-5-methyl-cyclohexanol; SR-05000001936; (-)-p-Menthan-3-ol; EINECS 201-939-0; EINECS 218-690-9; EINECS 239-388-3; BRN 1902288; BRN 3194263; levomentol; (+-)-(1R*,3R*,4S*)-Menthol; ss-Bisabolol; AI3-52408; Laevo-Menthol; 1R-Menthol; 1 -menthol; NCGC00159382-02; dextro,laevo-menthol; Water-soluble menthol; Menthol Crystals USP; PubChem7972; l-Menthol (JP17); Spectrum_000305; (-)-menthol derivatives; Spectrum2_000855; Spectrum3_001561; Spectrum5_001060; M0545; Menthol,3,trans-1,4-; EC 201-939-0; EC 218-690-9; SCHEMBL4613; BSPBio_003062; KBioSS_000785; 2-06-00-00052 (Beilstein Handbook Reference); 4-06-00-00151 (Beilstein Handbook Reference); MLS002207256; ARONIS27036; DivK1c_000820; SPECTRUM1503134; Menthol,3R,4S)-(-)-; SPBio_000869; GTPL2430; DTXSID1020805; DTXSID1022180; (-)-Menthol, USP, 97%; CTK5H9748; HMS502I22; KBio1_000820; KBio2_000785; KBio2_003353; KBio2_005921; KBio3_002562; NOOLISFMXDJSKH-KXUCPTDWSA-; (-)-Menthol, analytical standard; NINDS_000820; HMS1922G13; HMS2092L14; HMS3885J18; Pharmakon1600-01503134; Cyclohexanol, 2-isopropyl-5-methyl; NSC-2603; NSC62788; ZINC1482164; L-Menthol, >=99%, FCC, FG; Tox21_111620; Tox21_201823; Tox21_201919; Tox21_202608; Tox21_302999; Tox21_303028; WLN: L6TJ AY1&1 BQ D1; BDBM50318482; CCG-40300; Cyclohexanol, 2-isopropyl-5-methyl-; NSC-62788; NSC758395; s4714; AKOS016842647; (1R, 2S, 5R-)-(-)-Menthol; BS-3863; DB00825; EBD2156737; LMPR0102090001; MCULE-8181548788; MP-2129; NSC-758395; SDCCGMLS-0066659.P001; 1-iso propyl-4-methyl cyclohexan-2-ol; IDI1_000820; WLN: L6TJ AY1&1 DQ D1 -L; NCGC00164247-01; NCGC00164247-02; NCGC00164247-03; NCGC00256525-01; NCGC00256561-01; NCGC00259372-01; NCGC00259468-01; NCGC00260156-01; D-(-)-Phenylglycine Dane Potassium Salt; SC-02557; SC-18117; SMR001306785; L-Menthol, natural, >=99%, FCC, FG; SBI-0051777.P002; N1950; S5868; (1R,2S,5R)-(-)-Menthol, synthetic pellets; C00400; Cyclohexanol, (1.alpha.,2.beta.,5.alpha.)-; D00064; AB00052320_02; Levomenthol; Menthomenthol; Menthacamphor; (1R,2S,5R)-(-)-Menthol, >=99%, sublimed; Q407418; Q-201316; SR-05000001936-1; SR-05000001936-2; (1R,2S,5R)-(-)-Menthol, ReagentPlus(R), 99%; 2-Isopropyl-5-methylcyclohexanol-, (1R,2S,5R)- #; Cyclohexanol, [1R-(1.alpha.,2.beta.,5.alpha.)]-; (1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-ol; Z1698549655; 6C6A4A8C-A054-468C-A1F0-F29E39838CF2

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Activity

EC50 = 96000 nM

[4]

Compound Name

CID 87671693

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Investigative

Compound Info

Synonyms

SCHEMBL4447440; SCHEMBL4447448; CHEMBL3701199; BDBM161030; US9108905, 19

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Activity

IC50 ~ 100000 nM

[5]

Compound Name

CID 87671715

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Investigative

Compound Info

Synonyms

SCHEMBL4447570; CHEMBL3701198; BDBM161029; US9108905, 18

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Activity

IC50 ~ 100000 nM

[5]

Compound Name

CID 87672448

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Investigative

Compound Info

Synonyms

SCHEMBL4450932; CHEMBL3697716; BDBM161027; US9108905, 16

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Activity

IC50 ~ 100000 nM

[5]

Compound Name

CID 87522699

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Investigative

Compound Info

Synonyms

SCHEMBL3405855; CHEMBL3701197; BDBM161028; US9108905, 17

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Activity

IC50 ~ 100000 nM

[5]

Compound Name

Diallyl disulfide

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Investigative

Compound Info

Synonyms

Allyl disulfide; Diallyldisulfide; Diallyl disulphide; 1,2-Diallyldisulfane; Disulfide, di-2-propenyl; 2-Propenyl disulphide; Allyl disulphide; 4,5-Dithia-1,7-octadiene; 3-(prop-2-enyldisulfanyl)prop-1-ene; 3-Allyldisulfanyl-Propene; MFCD00008656; UNII-5HI47O6OA7; Disulfide, di-2-propen-1-yl; 5HI47O6OA7; CHEMBL366603; 3-(Allyldisulfanyl)-1-propene; Di-2-propenyl disulfide, 9CI; 3-(prop-2-en-1-yldisulfanyl)prop-1-ene; 2-Propenyl disulfide; Di(2-propenyl) disulfide; diallyldisulphide; FEMA No. 2028; 3-(allyldisulfanyl)prop-1-ene; CCRIS 6290; HSDB 595; Garlicin?; diAllS2; EINECS 218-548-6; NSC 29228; di-Propenyl disulfide; BRN 1699241; di-2-propenyldisulfide; diprop-2-enyl disulfide; di-2-Propenyl disulfide; AI3-35128; ACMC-1CDL1; DSSTox_CID_15206; DSSTox_RID_79248; DSSTox_GSID_35206; SCHEMBL93944; KSC491K6R; SPECTRUM1505174; 3,3'-dithiobis(prop-1-ene); Allyl disulfide, >=80%, FG; DTXSID9035206; CTK3J1568; FEMA 2028; 3-(Allyldisulfanyl)-1-propene #; KS-00000V5X; NSC29228; ZINC1531082; 3,3'-disulfanediylbis(prop-1-ene); Tox21_302178; 7491AF; ANW-24581; BDBM50318453; Diallyl disulfide, >=98% (HPLC); NSC-29228; Diallyl disulfide, analytical standard; 3-(prop-2-enyldisulfanyl)-1-propene; AKOS015840490; Allyl disulfide, technical grade, 80%; CCG-214421; MCULE-7486690483; NCGC00095294-01; NCGC00095294-02; NCGC00255533-01; NCI60_002410; SC-77190; DB-003623; D0071; FT-0624594; ST51038174; C08369; A815665; Q419633; SR-05000002379; J-014293; SR-05000002379-1; UNII-609MRV3T0J component PFRGXCVKLLPLIP-UHFFFAOYSA-N; Allyl disulfide, United States Pharmacopeia (USP) Reference Standard

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Activity

EC50 = 125000 nM

[1]

Compound Name

N-Hex-5-ynyl-2-iodo-acetamide

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Investigative

Compound Info

Synonyms

IA-alkyne; N-hex-5-ynyl-2-iodoacetamide; CHEMBL257362; N-(5-Hexyn-1-yl)-2-iodoacetamide; MFCD18839149; Iodoacetamide-alkyne;N-Hex-5-ynyl-2-iodo-acetamide; iodoacetamide alkyne; SCHEMBL15159482; N-5-Hexyn-1-yl-2-iodoacetamide; BDBM50376513; ZINC29043585; AS-60028; HY-136205; CS-0120600; N-(HEX-5-YN-1-YL)-2-IODOACETAMIDE

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Activity

EC50 = 134000 nM

[6]

Click to Show/Hide the Information of All Poor Binders

Non Binders of This Target (in total, 5 non binders)

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Compound Name

Iodoacetamide

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Investigative

Compound Info

Synonyms

iodoacetamide; 2-Iodoacetamide; 144-48-9; Monoiodoacetamide; Surauto; ACETAMIDE, 2-IODO-; 2-Iodo-acetamide; USAF D-1; alpha-Iodoacetamide; CCRIS 7710; C2H4INO; UNII-ZRH8M27S79; N-(3-Methoxy-4-butoxybenzyl)thiobarbituric acid; .alpha.-Iodoacetamide; AI3-51841; NSC 9581; EINECS 205-630-1; BRN 1739080; ZRH8M27S79; PGLTVOMIXTUURA-UHFFFAOYSA-N; MFCD00008028; Iodoacetamide, 98%; deltop; iodoacetoamide; a-iodoacetamide; iodo acetamide; 2-iodanylethanamide; sJYHCaVIKTp@; Alpha-iodo acetamide; Iodoacetamide, BioUltra; PubChem12542; ACMC-209csv

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Activity

EC50 = 357000 nM

[6]

Compound Name

Diallyl sulfide

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Investigative

Compound Info

Synonyms

Allyl sulfide; 1-Propene, 3,3'-thiobis-; Diallyl sulphide; Thioallyl ether; Oil garlic; Allyl monosulfide; Diallyl thioether; diallylsulfide; Diallyl monosulfide; 2-Propenyl sulphide; Allyl sulphide; 3,3-Thiobis(1-propene); NSC 20947; di-2-Propenyl sulfide; 3-prop-2-enylsulfanylprop-1-ene; UNII-60G7CF7CWZ; Dially monosulfide; MFCD00008658; 3-Allylsulfanyl-propene; 60G7CF7CWZ; 3-(prop-2-en-1-ylsulfanyl)prop-1-ene; CHEMBL170458; Allyl sulfide, 98%; 1-prop-2-enylthioprop-2-ene; FEMA No. 2042; CCRIS 3252; HSDB 7333; EINECS 209-775-1; 3-allylsulfanylprop-1-ene; BRN 1736016; diallylsulfane; Diallysulfide; AI3-18865; Diallyl thioather; di-2-propenylsulfide; Allyl sulfide, 97%; Spectrum2_000837; Spectrum3_001991; 1-Propene,3'-thiobis-; 4-Thia-1,6-heptadiene; ACMC-209mc0; SCHEMBL45800; BSPBio_003591; Prop-1-ene-3,3'-thiobis; 4-01-00-02097 (Beilstein Handbook Reference); KSC490I9L; (CH2=CHCH2)2S; 3,3'-thiobis(prop-1-ene); 3-(Allylsulfanyl)-1-propene; SPECTRUM1505293; SPBio_000793; Allyl sulfide, >=97%, FG; WLN: 1U2S2U1; DTXSID6060470; 3-(Allylsulfanyl)-1-propene #; CTK3J0495; FEMA 2042; KBio3_003027; 3,3'-Thiobis-1-propene, 9CI; Allyl sulfide, analytical standard; KS-00000X7D; NSC20947; ZINC1531083; 7490AF; ANW-33214; BDBM50318452; CCG-40295; NSC-20947; SBB060116; STL453662; AKOS015897442; MCULE-7417537491; SDCCGMLS-0066835.P001; NCGC00095345-01; NCGC00095345-02; DB-053358; A0235; FT-0624605; ST51046353; C08370; SR-05000002373; Q-100687; SR-05000002373-1; Q11587666; Allyl sulfide, United States Pharmacopeia (USP) Reference Standard

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Activity

EC50 = 254000 nM

[1]

Compound Name

D-Camphor

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Investigative

Compound Info

Synonyms

(+)-Camphor; (R)-Camphor; (R)-(+)-Camphor; (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one; (1R)-(+)-Camphor; (+)-Bornan-2-one; DL-Camphor; (1R,4R)-camphor; Camphor(D); Camphor (1R); d-2-Bornanone; D-(+)-Camphor; (+)-2-Bornanone; Camphora; Camphor D-form; Cinnamomum camphora; UNII-N20HL7Q941; FEMA No. 2230; Formosa camphor; Laurel camphor; N20HL7Q941; (1R)-Camphor; (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one; NCGC00090681-04; DSSTox_CID_4721; D(+)-Camphor, 97%; DSSTox_RID_77510; DSSTox_GSID_24721; Alphanon; Camphor oil; (1R,4R)-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one; Huile de camphre; Camphor, Racemic; 2-Kamfanon; Matricaria camphor; Camphor, (1R,4R)-(+)-; Alcanfor; Camphor, synthetic; DL-Bornan-2-one; Bornane, 2-oxo-; Camphor [USP]; Japanese camphor; D(+)-Camphor; Camphor USP; d-2-Camphanone; Camphor, (+)-; (1R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one; Norcamphor, 1,7,7-trimethyl-; Dextrocamphor; Natural camphor; Mulberry roots; MFCD00064149; Zang Qi; camphor (natural); Camphor (dl); Kampfer [German]; Camphor, D-; EINECS 207-355-2; (S)-camphor; d-Camphor [JAN]; UN2717; 2-Kamfanon [Czech]; (+-)-Camphor; Camphor, 96%; Caswell No. 155; AI3-01698; Bicyclo(2.2.1)heptane-2-one, 1,7,7-trimethyl-; Spectrum2_000383; Spectrum3_000322; Camphor, Synthetic, USP; Huile de camphre [French]; Camphor, Synthetic, Blocks; SCHEMBL16069; BSPBio_001923; HSDB 37; SPBio_000565; D-Camphor, >=97%, FG; CHEMBL504760; DTXSID4024721; FEMA NO. 4513; BDBM36263; CTK7H1022; KBio3_001143; D-Camphor, natural, 96%, FG; Pharmakon1600-01500156; ZINC967520; (1R)-(+)-Camphor, 98%; HY-B1173; EINECS 200-945-0; EINECS 244-350-4; Tox21_110995; Tox21_202187; Tox21_303052; 5739AF; NSC755918; SBB012351; (+/-)-Camphor, >=95.5%; AKOS016001972; Tox21_110995_1; CS-4779; DB01744; EPA Pesticide Chemical Code 015602; NE11121; NSC-755918; BRN 1907611; BRN 3196099; D-Camphor, analytical reference material; NCGC00090681-01; NCGC00090681-02; NCGC00090681-06; NCGC00090681-07; NCGC00090730-03; NCGC00257061-01; NCGC00259736-01; ST069333; (+/-)-Camphor, puriss., 96-101%; SBI-0206668.P002; AI3-18783; EC 200-945-0; (+/-)-Camphor, SAJ first grade, >=96.0%; AB00443849_03; 0-07-00-00135 (Beilstein Handbook Reference); 4-07-00-00213 (Beilstein Handbook Reference); Camphor, synthetic [UN2717] [Flammable solid]; (+/-)-Camphor, purum, synthetic, >=95.0% (GC); Q27089415; Z1741978849

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Activity

IC50 = 400000 nM

[1]

Compound Name

2-Methylsulfonylsulfanylethanamine

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Investigative

Compound Info

Synonyms

CHEMBL256738; S-2-Aminoethyl Methanesulfonothioate; 2-(methanesulfonylsulfanyl)ethan-1-amine; 2-Methylsulfonylsulfanylethylazanium bromide; SCHEMBL368519; CTK0E1566; DTXSID00328695; (2-aminoethyl)methanethiosulphonate; ZINC1678038; BDBM50203071; HSCI1_000031; Methanethiosulfonic acid S-(2-aminoethyl) ester; Methanesulfonothioic acid, S-(2-aminoethyl) ester

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Activity

EC50 = 1580000 nM

[1]

Compound Name

(6S)-6-[3-(3-Methoxypropoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4-thione

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Investigative

Compound Info

Synonyms

CHEMBL3314491; BDBM50046750

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Activity

IC50 > 40000000 nM

[7]

References

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REF 1

Transient receptor potential ankyrin 1 (TRPA1) channel as emerging target for novel analgesics and anti-inflammatory agents. J Med Chem. 2010 Jul 22;53(14):5085-107.

REF 2

Identification of Indole Alkaloid Structural Units Important for Stimulus-Selective TRPM8 Inhibition: SAR Study of Naturally Occurring Iboga Derivatives. J Nat Prod. 2014 Aug 22;77(8):1831-8.

REF 3

Effect of acyclic monoterpene alcohols and their derivatives on TRP channels. Bioorg Med Chem Lett. 2014 Dec 1;24(23):5507-11.

REF 4

Identification of a Novel TRPM8 Agonist from Nutmeg: A Promising Cooling Compound. ACS Med Chem Lett. 2017 May 31;8(7):715-719.

REF 5

US patent application no. 9108905B2, TRPA1 antagonists

REF 6

Noxious compounds activate TRPA1 ion channels through covalent modification of cysteines. Nature. 2007 Feb 1;445(7127):541-5.

REF 7

Development of novel azabenzofuran TRPA1 antagonists as in vivo tools. Bioorg Med Chem Lett. 2014 Aug 1;24(15):3464-8.

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