Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0S2GF
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| Former ID |
DIB019126
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| Drug Name |
chlorobenzylidene malononitrile
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| Synonyms |
2-chlorobenzylidene malononitrile; alonitrile; CS gas (lacrimator)
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C10H5ClN2
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| Canonical SMILES |
C1=CC=C(C(=C1)C=C(C#N)C#N)Cl
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| InChI |
1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H
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| InChIKey |
JJNZXLAFIPKXIG-UHFFFAOYSA-N
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| CAS Number |
CAS 2698-41-1
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| PubChem Compound ID | ||||
| PubChem Substance ID |
67440, 232159, 498646, 955197, 3215061, 5229709, 8163190, 10516429, 14772887, 29285333, 48413432, 48422657, 49855269, 57329830, 80028889, 88581417, 97857738, 104342893, 105051443, 117458779, 117465126, 118980115, 123089627, 123106772, 125712204, 126576793, 126727711, 128284315, 134983542, 135363692, 135543561, 137161220, 160793605, 162171828, 162221077, 162281586, 162806586, 163398448, 164795948, 165263289, 172829019, 174528614, 175438477, 176322272, 178100978, 198961152, 204429070, 223487294, 223524802, 224085531
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Transformation-sensitive protein p120 (TRPA1) | Target Info | Activator | [2] |
| KEGG Pathway | Inflammatory mediator regulation of TRP channels | |||
| Reactome | TRP channels | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 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. (Ligand id: 4158). | |||
| REF 2 | Tear gasses CN, CR, and CS are potent activators of the human TRPA1 receptor. Toxicol Appl Pharmacol. 2008 Sep 1;231(2):150-6. | |||
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