Bioactive Compound Details

BioIDbio200605
NameOCTENIDINE HYDROCHLORIDE
ChEMBL IDCHEMBL36342
Molecular FormulaC36H64Cl2N4
Molecular Weight623.84
Molecular Weight (Monoisotopic)550.4974
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
SynonymsLAS-189962|LAS189962|OCTENIDINE DIHYDROCHLORIDE|OCTENIDINE HCL|OCTENIDINE HYDROCHLORIDE|Octenidine|SENSIDIN DO|WIN 41464-2|WIN-41464-2
SmilesCCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1.Cl.Cl
InchiInChI=1S/C36H62N4.2ClH/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;;/h23-26,31-34H,3-22,27-30H2,1-2H3;2*1H
Inchi KeySMGTYJPMKXNQFY-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets20.0
Bioactivities108.0
Np Likeness Score-0.16
Records Key['47', '1', 'OCTENIDINE HYDROCHLORIDE', 'Octenidine dihydrochloride', 'Octenidine Dihydrochloride', 'OCTENIDINE', 'OCTENIDINE HYDROCHLORIDE', 'Octenidine Dihydrochloride', 'ODDC', 'Octenidine dihydrochloride', 'Octenidine']
Records Name[1-[6-(4-iminio-N-octyl-pyridin-1(4H)-yl)-decyl]pyridin-4(1H)-iminium-N'-octyl-dichloride", 'octenidine', 'OCTENIDINE HYDROCHLORIDE', 'Octenidine dihydrochloride', 'Octenidine Dihydrochloride', 'OCTENIDINE DIHYDROCHLORIDE', 'OCTENIDINE HYDROCHLORIDE', 'Octenidine Dihydrochloride', 'octenidine dihydrochloride', 'Octenidine dihydrochloride', 'Octenidine']"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure