Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0SE3C
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| Former ID |
DNC006406
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| Drug Name |
BS 7581
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| Synonyms |
BS 7581; CHEMBL444541; CHEMBL1790046
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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 |
C26H27N
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| Canonical SMILES |
CC(CC1=CC=CC=C1)NC2CC3C4=CC=CC=C4CCC5=C3C2=CC=C5
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| InChI |
1S/C26H27N/c1-18(16-19-8-3-2-4-9-19)27-25-17-24-22-12-6-5-10-20(22)14-15-21-11-7-13-23(25)26(21)24/h2-13,18,24-25,27H,14-17H2,1H3
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| InChIKey |
DNSDIYWJKBRJKP-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Debrisoquine 4-hydroxylase (CYP2D6) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Metabolism of xenobiotics by cytochrome P450 | |||
| Drug metabolism - cytochrome P450 | ||||
| Serotonergic synapse | ||||
| Reactome | Xenobiotics | |||
| WikiPathways | Metapathway biotransformation | |||
| Tamoxifen metabolism | ||||
| Oxidation by Cytochrome P450 | ||||
| Vitamin D Receptor Pathway | ||||
| Aripiprazole Metabolic Pathway | ||||
| Fatty Acid Omega Oxidation | ||||
| Codeine and Morphine Metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking. J Med Chem. 2006 Apr 20;49(8):2417-30. | |||
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