Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01YSN
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| Former ID |
DIB020090
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| Drug Name |
isoxazole azepine compound 3
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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 |
C20H18ClN3O2S
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| Canonical SMILES |
CC1=C(SC2=C1C(=NC(C3=C2C(=NO3)C)CC(=O)N)C4=CC=C(C=C4)Cl)C
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| InChI |
1S/C20H18ClN3O2S/c1-9-11(3)27-20-16(9)18(12-4-6-13(21)7-5-12)23-14(8-15(22)25)19-17(20)10(2)24-26-19/h4-7,14H,8H2,1-3H3,(H2,22,25)/t14-/m0/s1
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| InChIKey |
DRSQZZRFHBWKKZ-AWEZNQCLSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Bromodomain-containing protein 4 (BRD4) | Target Info | Inhibitor | [2] |
| WikiPathways | Chemical Compounds to monitor Proteins | |||
| 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: 7527). | |||
| REF 2 | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. ACS Med Chem Lett. 2013 Jul 16;4(9):835-40. | |||
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