Bioactive Compound Details

BioIDbio1961
NameLEVOCABASTINE HYDROCHLORIDE
ChEMBL IDCHEMBL1237102
Molecular FormulaC26H30ClFN2O2
Molecular Weight456.99
Molecular Weight (Monoisotopic)420.2213
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsLEVOCABASTINE HCL|LEVOCABASTINE HYDROCHLORIDE|LIVOSTIN|R 50,547|R-50547
SmilesC[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1.Cl
InchiInChI=1S/C26H29FN2O2.ClH/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20;/h2-10,19,23H,11-17H2,1H3,(H,30,31);1H/t19-,23-,25-,26-;/m1./s1
Inchi KeyOICFWWJHIMKBCD-VALQNVSPSA-N
Molecular SpeciesZWITTERION
Targets5.0
Bioactivities11.0
Np Likeness Score-0.12
Records Key['SID170465061', 'LEVOCABASTINE', 'LEVOCABASTINE HYDROCHLORIDE', 'Levocabastine hydrochloride', 'SID144204246', 'LEVOCABASTINE HYDROCHLORIDE', 'LEVOCABASTINE HYDROCHLORIDE', 'levocabastine', 'levocabastine', 'SID56463149']
Records Name['SID170465061', 'LEVOCABASTINE', 'LEVOCABASTINE HYDROCHLORIDE', 'Levocabastine hydrochloride', 'SID144204246', 'LEVOCABASTINE HYDROCHLORIDE', 'LEVOCABASTINE HYDROCHLORIDE', 'levocabastine', 'levocabastine', 'SID56463149']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure