Details of the Drug

General Information of Drug (ID: DMHPWOM)

Drug Name
Diphenidol
Synonyms
Avomol; Defenidol; Difenidol; Difenidolo; Difenidolum; Nometic; Vontrol; Difenidol HCl; Difenidolo [DCIT]; SKF 478; Difenidolum [INN-Latin]; Diphenidol [USAN:BAN]; SK-478; Diphenidol (USAN/INN); SK&F-478; Alpha,alpha-Diphenyl-1-piperidinebutanol; Diphenyl(3-(1-piperidyl)propyl)carbinol; 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol; 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol hydrochloride
Indication
Disease Entry ICD 11 Status REF
Nausea MD90 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) 309.4
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 4 hours [2]
Chemical Identifiers
Formula
C21H27NO
IUPAC Name
1,1-diphenyl-4-piperidin-1-ylbutan-1-ol
Canonical SMILES
C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2
InChIKey
OGAKLTJNUQRZJU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3055
ChEBI ID
CHEBI:4638
CAS Number
972-02-1
UNII
NQO8R319LY
DrugBank ID
DB01231
TTD ID
D0W9VB
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Muscarinic acetylcholine receptor M4 (CHRM4) TTQ3JTF ACM4_HUMAN Antagonist [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Nausea
ICD Disease Classification MD90
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Muscarinic acetylcholine receptor M4 (CHRM4) DTT CHRM4 1.93E-01 -0.08 -0.27
Muscarinic acetylcholine receptor M4 (CHRM4) DTT CHRM4 1.62E-01 -0.11 -0.63
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7163).
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Diphenidol-related diamines as novel muscarinic M4 receptor antagonists. Bioorg Med Chem Lett. 2008 May 1;18(9):2972-6.