Bioactive Compound Details

BioIDbio2879
NameLEVOCABASTINE
ChEMBL IDCHEMBL1615438
Molecular FormulaC26H29FN2O2
Molecular Weight420.53
Molecular Weight (Monoisotopic)420.2213
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsLEVOCABASTINA|LEVOCABASTINE|LIVOSTIN DIRECT|R-50547
SmilesC[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1
InchiInChI=1S/C26H29FN2O2/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)/t19-,23-,25-,26-/m1/s1
Inchi KeyZCGOMHNNNFPNMX-KYTRFIICSA-N
Molecular SpeciesZWITTERION
Targets7.0
Bioactivities44.0
Np Likeness Score-0.12
Records Key['levocabastine', 'levocabastine', '6', 'Levocabastine', 'LEVOCABASTINE', 'LEVOCABASTINE', 'LEVOCABASTINE', 'COVC-1212749506', 'levocabastine', 'levocabastine', 'BA1000924']
Records Name['levocabastine', 'levocabastine', 'levocabastine', 'Levocabastine', 'LEVOCABASTINE', 'LEVOCABASTINE', 'LEVOCABASTINE', 'LEVOCABASTINE', 'levocabastine', 'levocabastine', 'LEVOCABASTINE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure