Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0K6RG
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| Former ID |
DIB018960
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| Drug Name |
benzyl bromide
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| Synonyms |
BENZYL BROMIDE; 100-39-0; (Bromomethyl)benzene; alpha-Bromotoluene; Bromophenylmethane; Benzene, (bromomethyl)-; Benzene, bromomethyl-; Phenylmethyl bromide; 1-Bromotoluene; benzylbromide; Cyclite; bromomethylbenzene; A-BROMOTOLUENE; Toluene, alpha-bromo-; BnBr; NSC 8041; UNII-XR75BS721D; HSDB 369; .alpha.-Bromotoluene; .omega.-Bromotoluene; CCRIS 5980; EINECS 249-248-3; EINECS 202-847-3; UN1737; Toluene, .alpha.-bromo-; ALPHA-BROMOPHENYLMETHANE; AI3-15300; XR75BS721D; CHEMBL1085946; CHEBI:59858; AGEZXYOZHKGVCM-UHFFFAOYSA-N
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C7H7Br
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| Canonical SMILES |
C1=CC=C(C=C1)CBr
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| InChI |
1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
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| InChIKey |
AGEZXYOZHKGVCM-UHFFFAOYSA-N
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| CAS Number |
CAS 100-39-0
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| PubChem Compound ID | ||||
| PubChem Substance ID |
73755, 587888, 3132111, 6193457, 8155073, 10502100, 15339700, 17389190, 24848056, 24891612, 29449547, 29518040, 36518637, 36684263, 37224169, 48422836, 48424814, 49854517, 50068929, 52044160, 57324271, 80954148, 85084112, 87563454, 88813554, 92708924, 99319665, 103064376, 103084370, 103756792, 104152873, 104315127, 117391246, 117391326, 118980224, 124891237, 125336391, 126537856, 126587035, 126652802, 127298494, 127298495, 127298496, 127298497, 127298498, 127298499, 127298500, 127298501, 127298502, 127298503
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| ChEBI ID |
CHEBI:59858
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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: 6294). | |||
| REF 2 | Transient receptor potential ankyrin 1 antagonists block the noxious effects of toxic industrial isocyanates and tear gases. FASEB J. 2009 Apr;23(4):1102-14. | |||
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