General Information of Drug (ID: DMZM70X)

Drug Name
CGP-35348
Synonyms
Cgp 35348; Cgp-35348; 123690-79-9; UNII-87TI61875H; P-(3-Aminopropyl)-P-diethoxymethylphosphinic acid; CHEMBL40157; 3-aminopropyl(diethoxymethyl)phosphinic acid; Phosphinic acid, (3-aminopropyl)(diethoxymethyl)-; CGP35348; 87TI61875H; (S)-(3-Aminopropyl)(Diethoxymethyl)phosphinic Acid; CGP 35348 hydrate; (3-Aminopropyl)(diethoxymethyl)phosphinic acid hydrate; Tocris-1245; Biomol-NT_000237; AC1L32KY; C8H20NO4P; SCHEMBL195698; GTPL1069; BPBio1_000508; DTXSID70154064; QIIVUOWTHWIXFO-UHFFFAOYSA-N; MolPort-003-983-819; PDSP2_000408
Indication
Disease Entry ICD 11 Status REF
Epilepsy 8A60-8A68 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 225.22
Logarithm of the Partition Coefficient (xlogp) -3.3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C8H20NO4P
IUPAC Name
3-aminopropyl(diethoxymethyl)phosphinic acid
Canonical SMILES
CCOC(OCC)P(=O)(CCCN)O
InChI
InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)
InChIKey
QIIVUOWTHWIXFO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
107699
CAS Number
123690-79-9
TTD ID
D04KMO

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 [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1069).
2 The selective GABAB antagonist CGP-35348 blocks spike-wave bursts in the cholesterol synthesis rat absence epilepsy model. Brain Res. 1996 Aug 12;729(2):147-50.