Bioactive Compound Details

BioIDbio200392
NameNEVANIMIBE HYDROCHLORIDE
ChEMBL IDCHEMBL542103
Molecular FormulaC27H40ClN3O
Molecular Weight458.09
Molecular Weight (Monoisotopic)421.3093
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
SynonymsATR-101|ATR-101 HYDROCHLORIDE|NEVANIMIBE HYDROCHLORIDE|PD 132301-02|PD-132301 HYDROCHLORIDE|PD-132301-02|PD-132301-2|PD132301-02|PD132301-2
SmilesCC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(N(C)C)cc2)CCCC1.Cl
InchiInChI=1S/C27H39N3O.ClH/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6;/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31);1H
Inchi KeySDOOGTHIDFZUNM-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities37.0
Np Likeness Score-0.95
Records Key['28', 'NEVANIMIBE HYDROCHLORIDE', 'NEVANIMIBE HYDROCHLORIDE', '53; PD-132301-2, ATR-101']
Records Name['1-(2,6-Diisopropyl-phenyl)-3-[1-(4-dimethylamino-phenyl)-cyclopentylmethyl]-urea hydrochloride', 'NEVANIMIBE HYDROCHLORIDE', 'NEVANIMIBE HYDROCHLORIDE', 'Nevanimibe']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure