Details of the Drug

General Information of Drug (ID: DMGFIJV)

Drug Name
(3-Amino-propyl)-hydroxymethyl-phosphinic acid
Synonyms
AC1MTETN; SCHEMBL341290; MolPort-002-514-611; STL513587; ZINC20112625; AKOS030493595; MCULE-2944312169; 3-aminopropyl(hydroxymethyl)phosphinic acid; (Hydroxymethyl)(3-aminopropyl)phosphinic acid; (3-aminopropyl)(hydroxymethyl)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): 0 Molecular Weight (mw) 152.11
Logarithm of the Partition Coefficient (xlogp) -1.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C4H11NO3P+
IUPAC Name
3-aminopropyl-formyl-dihydroxyphosphanium
Canonical SMILES
C(CN)C[P+](C=O)(O)O
InChI
InChI=1S/C4H11NO3P/c5-2-1-3-9(7,8)4-6/h4,7-8H,1-3,5H2/q+1
InChIKey
WKJVZSFFUHQPOM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
91929121
TTD ID
D0XX9G

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.