Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0I0AA
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| Former ID |
DIB018754
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| Drug Name |
acrolein
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| Synonyms |
ACROLEIN; Acrylaldehyde; 2-Propenal; Propenal; 107-02-8; Acrylic aldehyde; Allyl aldehyde; prop-2-enal; Ethylene aldehyde; Acraldehyde; Aqualin; Magnacide H; 2-Propen-1-one; Aqualine; Slimicide; Crolean; Acquinite; Magnacide; Prop-2-en-1-al; Acrylaldehyd; Akroleina; Akrolein; Acroleine; Acroleina; Papite; Biocide; Aldeide acrilica; Aldehyde acrylique; Acraldehydeacroleina; polyacrolein; Propenaldehyde; trans-Acrolein; NSC 8819; Akrolein [Czech]; Propenal [Czech]; Rcra waste number P003; Magnacide H and B; Akroleina [Polish]; Acroleina [Italian]
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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 |
C3H4O
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| Canonical SMILES |
C=CC=O
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| InChI |
1S/C3H4O/c1-2-3-4/h2-3H,1H2
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| InChIKey |
HGINCPLSRVDWNT-UHFFFAOYSA-N
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| CAS Number |
CAS 107-02-8
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| PubChem Compound ID | ||||
| PubChem Substance ID |
4646, 74434, 587107, 3135193, 4657549, 8143162, 8155395, 10503364, 15066030, 17390064, 24845182, 24845183, 24846970, 24881771, 29226631, 31639709, 32090051, 39943386, 48413150, 48415067, 48417146, 48421280, 48422772, 48424787, 49854629, 53790718, 56311863, 57269593, 57269594, 57288504, 57324532, 57391767, 75315016, 85083360, 88822667, 92252316, 103196772, 103923654, 104316152, 104669189, 117394642, 118980217, 124890969, 125308103, 125337369, 126546647, 126676597, 127319334, 127319335, 127319336
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| ChEBI ID |
CHEBI:15368
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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: 2418). | |||
| REF 2 | TRPA1 mediates the inflammatory actions of environmental irritants and proalgesic agents. Cell. 2006 Mar 24;124(6):1269-82. | |||
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