Bioactive Compound Details

BioIDbio164522
NameBACLOFEN
ChEMBL IDCHEMBL701
Molecular FormulaC10H12ClNO2
Molecular Weight213.66
Molecular Weight (Monoisotopic)213.0557
TypeSmall molecule
Max PhasePhase 4
Target IDTar59
Target NameNone
Synonyms(RS)-BACLOFEN|BA-34,647|BA-34647|BACLOFEN|BACLOFENE|BACLOFENO|BACLOSPAS-10|FLEQSUVY|GABLOFEN|KEMSTRO|LIORESAL|LIORESAL INTRATH|LYFLEX|LYVISPAH|NSC-755906|OZOBAX
SmilesNCC(CC(=O)O)c1ccc(Cl)cc1
InchiInChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
Inchi KeyKPYSYYIEGFHWSV-UHFFFAOYSA-N
Molecular SpeciesZWITTERION
Targets185.0
Bioactivities1134.0
Np Likeness Score0.05
Records Key['l-Baclofen', 'Baclofen', '2 ((-)Baclofen)', '(rac)-baclofen', '1, (R,S)-baclofen', 'BACLOFEN', 'baclofen', 'Baclofen', 'GABA', 'baclofen', '(+/-)-Baclofen', 'Baclofen', 'Baclofen', '5 (baclofen)', 'baclofen', 'baclofen', 'baclofen', '1, baclofen', '17', 'SID50104402', 'SID26751712', 'BACLOFEN', 'baclofen', 'Baclofen', 'SID855960', 'SID90341690', 'BACLOFENE', 'Baclofen', 'BACLOFEN', '(RS)-Baclofen', 'BACLOFEN', '(+/-)-Baclofen', 'SID104171115', 'SID124879423', '(+/-)-Baclofen', 'Baclofen脢', 'Baclofen', 'Baclofen', 'SID85230940', 'BACLOFEN', 'SID170465099', 'BACLOFEN', 'Baclofen', '(R)-baclofen', 'SID124879424', 'COVC-3362378124', 'Baclofen', '(+/-)-Baclofen', 'Baclofen', 'BACLOFEN', 'BACLOFEN', 'baclofen', 'Baclofen', 'BACLOFEN', 'Baclofen', 'Baclofen脗', 'Baclofen', 'baclofen', 'BA1000079']
Records Name['4-Amino-3-(4-chloro-phenyl)-butyric acid', '4-Amino-3-(4-chloro-phenyl)-butyric acid', '4-Amino-3-(4-chloro-phenyl)-butyric acid', '(rac)-baclofen', '4-Amino-3-(4-chloro-phenyl)-butyric acid', 'Baclofen', '4-amino-3-(4-chlorophenyl)butanoic acid', '4-Amino-3-(4-chloro-phenyl)-butyric acid', '4-Amino-3-(4-chloro-phenyl)-butyric acid', '4-Amino-3-(4-chloro-phenyl)-butyric acid', '4-Amino-3-(4-chloro-phenyl)-butyric acid', '4-Amino-3-(4-chloro-phenyl)-butyric acid', 'Baclofen', '4-Amino-3-(4-chloro-phenyl)-butyric acid', '4-Amino-3-(4-chloro-phenyl)-butyric acid (baclofen)', '4-amino-3-(4-chlorophenyl)butanoic acid', 'baclofen', '4-amino-3-(4-chlorophenyl)butyric acid', 'Baclofen', 'SID50104402', 'SID26751712', 'BACLOFEN', 'baclofen', 'Baclofen', 'SID855960', 'SID90341690', 'BACLOFENE', 'Baclofen', 'BACLOFEN', '(RS)-Baclofen', 'BACLOFEN', '(+/-)-Baclofen', 'SID104171115', 'SID124879423', '(+/-)-Baclofen', 'Baclofen脢', 'Baclofen', 'Baclofen', 'SID85230940', 'BACLOFEN', 'SID170465099', 'BACLOFEN', 'Baclofen', '(R)-baclofen', 'SID124879424', 'BACLOFEN', 'Baclofen', '(+/-)-Baclofen', 'Baclofen', 'BACLOFEN', 'BACLOFEN', 'baclofen', 'Baclofen', 'BACLOFEN', 'Baclofen', 'Baclofen脗', 'Baclofen', 'baclofen', 'BACLOFEN']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure