Details of the Drug

General Information of Drug (ID: DMJAS3O)

Drug Name
Hydroxyamphetamine
Synonyms
Hydroxyamfetamine; Hydroxyamphetamide; Norpholedrine; Norveritol; Nov-Pholedrin; Oksamfetamin; Oxamfetamin; Oxamphetamine; Oxamphetaminium; Paradrine; Paredrine; Paredrinex; Pedrolon; Phenol, 4-(2-aminopropyl)-; Phenol, p-(2-aminopropyl)-; Phenol,4-(2-aminopropyl)-; Pulsoton; alpha-Methyltyramine; hydroxyamphetamine; p-(2-Aminopropyl)phenol; p-HYDROXYAMPHETAMINE; .alpha.-Methyltyramine; 1-p-Hydroxyphenyl-2-propylamine; 103-86-6; 2-Amino-1-(p-hydroxyphenyl)propane; 4-(2-Aminopropyl)phenol; 4-Hydroxyamphetamine
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 151.21
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Metabolism
The drug is metabolized via ophthalmic []
Chemical Identifiers
Formula
C9H13NO
IUPAC Name
4-(2-aminopropyl)phenol
Canonical SMILES
CC(CC1=CC=C(C=C1)O)N
InChI
InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3
InChIKey
GIKNHHRFLCDOEU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3651
ChEBI ID
CHEMBL1546
CAS Number
103-86-6
UNII
FQR280JW2N
DrugBank ID
DB09352
INTEDE ID
DR1770
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Stereoselective method development and validation for determination of concentrations of amphetamine-type stimulants and metabolites in human urine using a simultaneous extraction-chiral derivatization approach. J Chromatogr B Analyt Technol Biomed Life Sci. 2011 Jan 1;879(1):8-16.