Details of the Drug

General Information of Drug (ID: DMTBW2O)

Drug Name
Propylhexedrine
Synonyms
Propylhexedrine hydrochloride; Eggobesin; Eventin hydrochloride; Benzedrex hydrochloride; Pernsator-wirkstoff; dl-Propylhexedrine Hydrochloride; 1007-33-6; Cyclohexylisopropylmethylamine hydrochloride; NSC 27110; NSC 170998; Cyclohexyl(isopropyl)methylammonium chloride; 1-Cyclohexyl-2-methylaminopropane hydrochloride; EINECS 213-753-7; (+-)-Propylhexedrine hydrochloride; N,alpha-Dimethylcyclohexaneethylamine hydrochloride; Propylhexedrine dl-form hydrochloride; Cyclohexaneethylamine, N,alpha-dimethyl-, hydrochloride
Indication
Disease Entry ICD 11 Status REF
Obesity 5B81 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 155.28
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C10H21N
IUPAC Name
1-cyclohexyl-N-methylpropan-2-amine
Canonical SMILES
CC(CC1CCCCC1)NC
InChI
InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3
InChIKey
JCRIVQIOJSSCQD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
7558
ChEBI ID
CHEMBL134783
CAS Number
101-40-6
UNII
LQU92IU8LL
DrugBank ID
DB06714
TTD ID
D03DVJ
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor alpha-2C (ADRA2C) TT2NUT5 ADA2C_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Obesity
ICD Disease Classification 5B81
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Adrenergic receptor alpha-2C (ADRA2C) DTT ADRA2C 1.76E-01 -0.06 -0.28
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Propylhexedrine (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Methylene blue DMJAPE7 Moderate Decreased metabolism of Propylhexedrine caused by Methylene blue mediated inhibition of non-CYP450 enzyme. Acquired methaemoglobinaemia [3A93] [3]
Levomilnacipran DMV26S8 Moderate Increased risk of rapid heart rate by the combination of Propylhexedrine and Levomilnacipran. Chronic pain [MG30] [4]
Ozanimod DMT6AM2 Moderate Decreased metabolism of Propylhexedrine caused by Ozanimod mediated inhibition of non-CYP450 enzyme. Multiple sclerosis [8A40] [3]

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Airway compromise and delayed death following attempted central vein injection of propylhexedrine. J Emerg Med. 1994 Nov-Dec;12(6):795-7.
3 Cusson JR, Goldenberg E, Larochelle P "Effect of a novel monoamine-oxidase inhibitor, moclobemide on the sensitivity to intravenous tyramine and norepinephrine in humans." J Clin Pharmacol 31 (1991): 462-7. [PMID: 2050833]
4 Product Information. Cymbalta (duloxetine). Lilly, Eli and Company, Indianapolis, IN.