Details of the Drug

General Information of Drug (ID: DM5XYFH)

Drug Name
SGS742
Synonyms CGP-36742; CGP36742
Indication
Disease Entry ICD 11 Status REF
Schizophrenia 6A20 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 179.2
Logarithm of the Partition Coefficient (xlogp) -2.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 4 hours [2]
Chemical Identifiers
Formula
C7H18NO2P
IUPAC Name
3-aminopropyl(butyl)phosphinic acid
Canonical SMILES
CCCCP(=O)(CCCN)O
InChI
InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)
InChIKey
ONNMDRQRSGKZCN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
130021
ChEBI ID
CHEMBL112797
CAS Number
123690-78-8
UNII
GBZ5UC0RME
DrugBank ID
DB05010
TTD ID
D01RBR
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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 Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 SGS742: the first GABA(B) receptor antagonist in clinical trials. Biochem Pharmacol. 2004 Oct 15;68(8):1479-87.
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds