Details of the Drug

General Information of Drug (ID: DM7HF4I)

Drug Name
(3-Amino-1-hydroxy-propyl)-methyl-phosphinic acid
Synonyms SCHEMBL341289
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) 152.11
Logarithm of the Partition Coefficient (xlogp) -2.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C4H11NO3P+
IUPAC Name
3-aminopropanoyl-dihydroxy-methylphosphanium
Canonical SMILES
C[P+](C(=O)CCN)(O)O
InChI
InChI=1S/C4H11NO3P/c1-9(7,8)4(6)2-3-5/h7-8H,2-3,5H2,1H3/q+1
InChIKey
XRHWOLGPXAOKPF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
53719915
TTD ID
D0H7KP

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.