Drug General Information
Drug ID
D0C7PK
Former ID
DNC004882
Drug Name
(2-hydroxy-3-phenoxypropyl)(propan-2-yl)amine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527617]
Structure
Download
2D MOL

3D MOL

Formula
C12H19NO2
Canonical SMILES
CC(C)NCC(COC1=CC=CC=C1)O
InChI
1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
InChIKey
ONXLHKFGTDDVLQ-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cytochrome P450 2D6 Target Info Inhibitor [527617]
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 527617Bioorg Med Chem Lett. 2005 Sep 1;15(17):3816-20.A 3D-QSAR model for CYP2D6 inhibition in the aryloxypropanolamine series.
Ref 527617Bioorg Med Chem Lett. 2005 Sep 1;15(17):3816-20.A 3D-QSAR model for CYP2D6 inhibition in the aryloxypropanolamine series.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.