General Information of Drug (ID: DM84TSH)

Drug Name
CGP-34938
Synonyms CHEMBL113304; CGP-34938; AC1NOZJY; SCHEMBL185737; MolPort-003-824-912; AKOS006286757; (3-amino-2-hydroxypropyl)-methylphosphinic acid; L013629; (3-amino-2-hydroxypropyl)(methyl)phosphinic 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): 1 Molecular Weight (mw) 153.12
Logarithm of the Partition Coefficient (xlogp) -4.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C4H12NO3P
IUPAC Name
(3-amino-2-hydroxypropyl)-methylphosphinic acid
Canonical SMILES
CP(=O)(CC(CN)O)O
InChI
InChI=1S/C4H12NO3P/c1-9(7,8)3-4(6)2-5/h4,6H,2-3,5H2,1H3,(H,7,8)
InChIKey
FUUPFUIGNBPCAY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5097016
TTD ID
D03KZK

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 Phosphinic acid analogues of GABA. 1. New potent and selective GABAB agonists. J Med Chem. 1995 Aug 18;38(17):3297-312.