Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0X4DE
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| Former ID |
DNC006407
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| Drug Name |
GBR 12530
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| Synonyms |
GBR 12530; CHEMBL203446
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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 |
C25H26
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| Canonical SMILES |
CC1C2CCC1C=C(C2)C=C3C4=CC=CC=C4CCC5=CC=CC=C53
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| InChI |
1S/C25H26/c1-17-21-12-13-22(17)15-18(14-21)16-25-23-8-4-2-6-19(23)10-11-20-7-3-5-9-24(20)25/h2-9,14,16-17,21-22H,10-13,15H2,1H3
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| InChIKey |
RMNZMKPVCVYBDK-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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