Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0ZZ2L
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| Former ID |
DNC006405
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| Drug Name |
BS 9106
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| Synonyms |
BS 9106; CHEMBL206647; CHEMBL1790047
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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 |
C23H23NS
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| Canonical SMILES |
C1=CC=C(C=C1)CCNCCC2C3=CC=CC=C3SC4=CC=CC=C24
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| InChI |
1S/C23H23NS/c1-2-8-18(9-3-1)14-16-24-17-15-19-20-10-4-6-12-22(20)25-23-13-7-5-11-21(19)23/h1-13,19,24H,14-17H2
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| InChIKey |
BTFWDABQNDILAN-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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