Details of the Drug

General Information of Drug (ID: DMKAEQW)

Drug Name
Phenyltoloxamine
Synonyms
Bristamin hydrochloride; Phenyltoloxamine hydrochloride; HL 2153; (2-(Dimethylamino)ethyl) (o-benzylphenoxy)ether hydrochloride; N,N-Dimethyl-2-(alpha-phenyl-o-toloxy)-ethylamine hydrochloride; ETHYLAMINE, 2-(o-BENZYLPHENOXY)-N,N-DIMETHYL-, HYDROCHLORIDE; Ethylamine, N,N-dimethyl-2-((alpha-phenyl-o-tolyl)oxy)-, hydrochloride; N-(2'-Dimethylaminoaethyl)-(o-benzylphenol)-aether hydrochlorid [German]; AC1L2KJQ; 92-12-6 (Parent); LS-67923; 2-(2-benzylphenoxy)ethyl-dimethylazanium chloride
Indication
Disease Entry ICD 11 Status REF
Allergy 4A80-4A85 Approved [1]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 255.35
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H21NO
IUPAC Name
2-(2-benzylphenoxy)-N,N-dimethylethanamine
Canonical SMILES
CN(C)CCOC1=CC=CC=C1CC2=CC=CC=C2
InChI
InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChIKey
IZRPKIZLIFYYKR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
7077
ChEBI ID
CHEMBL186720
CAS Number
92-12-6
UNII
K65LB6598J
DrugBank ID
DB11160
TTD ID
D0KS6W
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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
Dopamine D1 receptor (D1R) TTZFYLI DRD1_HUMAN Inhibitor [2]
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Inhibitor [2]
Dopamine D4 receptor (D4R) TTE0A2F DRD4_HUMAN Inhibitor [2]
Dopamine D5 receptor (D5R) TTS2PH3 DRD5_HUMAN Inhibitor [2]
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Molecular Expression Atlas of This Drug

The Studied Disease Allergy
ICD Disease Classification 4A80-4A85
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D1 receptor (D1R) DTT DRD1 8.99E-01 -0.06 -0.3
Dopamine D2 receptor (D2R) DTT DRD2 2.20E-03 -0.51 -1.35
Dopamine D4 receptor (D4R) DTT DRD4 1.90E-01 0.19 0.76
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 Phenyltoloxamine (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Revefenacin DMMP5SI Moderate Additive anticholinergic effects by the combination of Phenyltoloxamine and Revefenacin. Chronic obstructive pulmonary disease [CA22] [3]
Esketamine DMVU687 Moderate Additive CNS depression effects by the combination of Phenyltoloxamine and Esketamine. Depression [6A70-6A7Z] [4]
Belladonna DM2RBWK Moderate Additive anticholinergic effects by the combination of Phenyltoloxamine and Belladonna. Infectious gastroenteritis/colitis [1A40] [5]
Allopregnanolone DMNLHAC Moderate Additive CNS depression effects by the combination of Phenyltoloxamine and Allopregnanolone. Mental/behavioural/neurodevelopmental disorder [6E20-6E8Z] [6]
Lasmiditan DMXLVDT Moderate Additive CNS depression effects by the combination of Phenyltoloxamine and Lasmiditan. Migraine [8A80] [4]
Ozanimod DMT6AM2 Moderate Additive CNS depression effects by the combination of Phenyltoloxamine and Ozanimod. Multiple sclerosis [8A40] [7]
Methylscopolamine DM5VWOB Moderate Additive anticholinergic effects by the combination of Phenyltoloxamine and Methylscopolamine. Peptic ulcer [DA61] [5]
⏷ Show the Full List of 7 DDI Information of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Dopamine/serotonin receptor ligands. 9. Oxygen-containing midsized heterocyclic ring systems and nonrigidized analogues. A step toward dopamine D5 ... J Med Chem. 2004 Aug 12;47(17):4155-8.
3 Product Information. Anoro Ellipta (umeclidinium-vilanterol). GlaxoSmithKline, Research Triangle Park, NC.
4 Warrington SJ, Ankier SI, Turner P "Evaluation of possible interactions between ethanol and trazodone or amitriptyline." Neuropsychobiology 15 (1986): 31-7. [PMID: 3725002]
5 Kulik AV, Wilbur R "Delirium and stereotypy from anticholinergic antiparkinson drugs." Prog Neuropsychopharmacol Biol Psychiatry 6 (1982): 75-82. [PMID: 7202232]
6 Gilman AG, Rall TW, Nies AS, Taylor P, eds. "Goodman and Gilman's the Pharmacological Basis of Therapeutics. 8th ed." New York, NY: Pergamon Press Inc. (1990):.
7 Canadian Pharmacists Association.