Details of the Drug

General Information of Drug (ID: DMW87OE)

Drug Name
(R)-5-Amino-3-(4-chloro-phenyl)-pentanoic acid
Synonyms CHEMBL62361; (R)-Homobaclofen; (R)-5-Amino-3-(4-chloro-phenyl)-pentanoic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 227.69
Logarithm of the Partition Coefficient (xlogp) -0.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H14ClNO2
IUPAC Name
(3R)-5-amino-3-(4-chlorophenyl)pentanoic acid
Canonical SMILES
C1=CC(=CC=C1[C@H](CCN)CC(=O)O)Cl
InChI
InChI=1S/C11H14ClNO2/c12-10-3-1-8(2-4-10)9(5-6-13)7-11(14)15/h1-4,9H,5-7,13H2,(H,14,15)/t9-/m1/s1
InChIKey
QXAGSDSDBMVSQR-SECBINFHSA-N
Cross-matching ID
PubChem CID
10491829
TTD ID
D0E7YK

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 Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis and pharmacology of the baclofen homologues 5-amino-4-(4-chlorophenyl)pentanoic acid and the R- and S-enantiomers of 5-amino-3-(4-chlorop... J Med Chem. 1999 Jun 3;42(11):2053-9.