Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0J9SO
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| Former ID |
DNC006408
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| Drug Name |
BS 7840
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| Synonyms |
BS 7840; CHEMBL380748
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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 |
C23H25NO
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| Canonical SMILES |
CN(C)CCC1(C2=CC=CC=C2CCC3=C1C4=CC=CC=C4C=C3)O
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| InChI |
1S/C23H25NO/c1-24(2)16-15-23(25)21-10-6-4-8-18(21)12-14-19-13-11-17-7-3-5-9-20(17)22(19)23/h3-11,13,25H,12,14-16H2,1-2H3
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| InChIKey |
IUXDSDVOBHKNSE-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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