Details of the Drug

General Information of Drug (ID: DMLRHM5)

Drug Name
[3H](R)-(-)-baclofen
Synonyms AC1OCG0F; ZB000014
Indication
Disease Entry ICD 11 Status REF
Multiple sclerosis 8A40 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 213.66
Logarithm of the Partition Coefficient (xlogp) -1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H12ClNO2
IUPAC Name
(3R)-4-amino-3-(4-chlorophenyl)butanoic acid
Canonical SMILES
C1=CC(=CC=C1[C@@H](CC(=O)O)CN)Cl
InChI
InChI=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)/t8-/m0/s1
InChIKey
KPYSYYIEGFHWSV-QMMMGPOBSA-N
Cross-matching ID
PubChem CID
44602
ChEBI ID
CHEMBL301742
CAS Number
69308-37-8
UNII
NYU6UTW25B
DrugBank ID
DB08891
TTD ID
D0H5JW
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gamma-aminobutyric acid B receptor (GABBR) TTDCVZW GABR1_HUMAN ; GABR2_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02869425) To Assess Effects of Arbaclofen ER Tablets Compared With Placebo on Sperm Parameters in Male Subjects With MS. U.S. National Institutes of Health.
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 242).