Bioactive Compound Details

BioIDbio4198
NameDIPHENIDOL HYDROCHLORIDE
ChEMBL IDCHEMBL1529
Molecular FormulaC21H28ClNO
Molecular Weight345.91
Molecular Weight (Monoisotopic)309.2093
TypeSmall molecule
Max PhasePhase 4
Target IDTar4
Target NameThromboxane-A synthase (TBXAS1)
SynonymsCEPHADOL|DIPHENIDOL HCL|DIPHENIDOL HYDROCHLORIDE|NSC-23012|SK&F 478-A|SK-478-A|VONTROL
SmilesCl.OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1
InchiInChI=1S/C21H27NO.ClH/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;1H
Inchi KeyAVZIYZHXZAYGJS-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets18.0
Bioactivities31.0
Np Likeness Score-0.59
Records Key['SID85273789', '1a', '2', 'DIPHENIDOL HYDROCHLORIDE', 'SID11533019', 'diphenidol', 'DIPHENIDOL HYDROCHLORIDE', 'DIPHENIDOL HYDROCHLORIDE', 'DIPHENIDOL', 'diphenidol', 'Diphenidol hydrochloride']
Records Name['SID85273789', '1-(4-Hydroxy-4,4-diphenyl-butyl)-piperidinium chloride', '1,1-Diphenyl-4-piperidin-1-yl-butan-1-ol: Hydrochloride', 'DIPHENIDOL HYDROCHLORIDE', 'SID11533019', 'diphenidol', 'DIPHENIDOL HYDROCHLORIDE', 'DIPHENIDOL HYDROCHLORIDE', 'DIPHENIDOL', 'diphenidol', 'Diphenidol hydrochloride']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure