Drug Information

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
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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
3123920
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.

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