Details of the Drug

General Information of Drug (ID: DMPHCX7)

Drug Name
(3-Amino-1-ethyl-propyl)-methyl-phosphinic acid
Synonyms
CHEMBL113092; 133345-70-7; Phosphinic acid, (3-amino-1-ethylpropyl)methyl-; ACMC-20muwd; (3-Amino-1-ethyl-propyl)-methyl-phosphinic acid; SCHEMBL341182; CTK0C0402; DTXSID30435583; CCGFQGUALPHBIC-UHFFFAOYSA-N; BDBM50032974; P-(5-aminopent-3-yl)-P-methylphosphinic acid; P-(5-aminopent-3-yl)-P-methyl-phosphinic acid; Phosphinic acid, P-(3-amino-1-ethylpropyl)-P-methyl-
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) 165.17
Logarithm of the Partition Coefficient (xlogp) -3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C6H16NO2P
IUPAC Name
1-aminopentan-3-yl(methyl)phosphinic acid
Canonical SMILES
CCC(CCN)P(=O)(C)O
InChI
InChI=1S/C6H16NO2P/c1-3-6(4-5-7)10(2,8)9/h6H,3-5,7H2,1-2H3,(H,8,9)
InChIKey
CCGFQGUALPHBIC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10103488
CAS Number
133345-70-7
TTD ID
D07YSJ

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.