Details of the Drug

General Information of Drug (ID: DM6H0FW)

Drug Name
((Z)-3-Amino-propenyl)-methyl-phosphinic acid
Synonyms CGP-70523; SCHEMBL6679937; PDSP2_001466; PDSP1_001482
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 135.1
Logarithm of the Partition Coefficient (xlogp) -1.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C4H10NO2P
IUPAC Name
3-iminopropyl(methyl)phosphinic acid
Canonical SMILES
CP(=O)(CCC=N)O
InChI
InChI=1S/C4H10NO2P/c1-8(6,7)4-2-3-5/h3,5H,2,4H2,1H3,(H,6,7)
InChIKey
CLJLMKDNJNIXPO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
91929120
TTD ID
D09IVS
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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.