Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D07XCA
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| Former ID |
DNC004145
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| Drug Name |
A-286982
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| Synonyms |
A-286982; 280749-17-9; UNII-5I8WFS075A; A 286982; CHEMBL19677; 5I8WFS075A; C24H27N3O4S; (2E)-1-(4-Acetyl-1-piperazinyl)-3-[4-[[2-(1-methylethyl)phenyl]thio]-3-nitrophenyl]-2-propen-1-one; SCHEMBL5829786; GTPL6592; SCHEMBL12063498; AOB1772; SYN5060; MolPort-023-277-110; ZINC602716; BDBM50092956; AKOS024458044; API0010263; Piperazine, 1-acetyl-4-((2E)-3-(4-((2-(1-methylethyl)phenyl)thio)-3-nitrophenyl)-1-oxo-2-propenyl)-; (E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one; AS-16426
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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 |
C24H27N3O4S
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| Canonical SMILES |
CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]
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| InChI |
1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+
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| InChIKey |
HTGGAYLWTDOFDK-PKNBQFBNSA-N
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| CAS Number |
CAS 280749-17-9
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| 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: 6592). | |||
| REF 2 | Discovery of tetrahydroisoquinoline (THIQ) derivatives as potent and orally bioavailable LFA-1/ICAM-1 antagonists. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5269-73. | |||
| REF 3 | Novel p-arylthio cinnamides as antagonists of leukocyte function-associated antigen-1/intracellular adhesion molecule-1 interaction. 2. Mechanism o... J Med Chem. 2001 Apr 12;44(8):1202-10. | |||
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