Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0C7PK
|
|||
| Former ID |
DNC004882
|
|||
| Drug Name |
(2-hydroxy-3-phenoxypropyl)(propan-2-yl)amine
|
|||
| Synonyms |
1-(Isopropylamino)-3-phenoxypropan-2-ol; 7695-63-8; 1-phenoxy-3-(propan-2-ylamino)propan-2-ol; 1-Isopropylamino-3-phenoxy-propan-2-ol; 1-(isopropylamino)-3-phenoxy-2-propanol; Metoprolol IMpurity 06; CHEMBL7154; H-9/64; 2-PROPANOL, 1-[(1-METHYLETHYL)AMINO]-3-PHENOXY-; 1-[(1-methylethyl)amino]-3-phenoxy-2-Propanol; 2-Propanol, 1-((1-methylethyl)amino)-3-phenoxy-; (2RS)-1-((1-Methylethyl)amino)-3-phenoxypropan-2-ol; Desmethoxyethyl metoprolol; NIP
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D 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
|
|||
| CAS Number |
CAS 7695-63-8
|
|||
| 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 | A 3D-QSAR model for CYP2D6 inhibition in the aryloxypropanolamine series. Bioorg Med Chem Lett. 2005 Sep 1;15(17):3816-20. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.