Drug Information

Drug General Information
Drug ID
D05ROV
Former ID
DNC003892
Drug Name
GNF-PF-5411
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534050]
Structure
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2D MOL

3D MOL
Formula
C19H22N2O
Canonical SMILES
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O
InChI
1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2
InChIKey
KMPWYEUPVWOPIM-UHFFFAOYSA-N
PubChem Compound ID
2757
Target and Pathway
Target(s) Cytochrome P450 2D6 Target Info Inhibitor [534050]
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
Ref 534050J Med Chem. 1993 Apr 30;36(9):1136-45.Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies.
Ref 534050J Med Chem. 1993 Apr 30;36(9):1136-45.Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies.

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