Details of the Drug

General Information of Drug (ID: DMHKETG)

Drug Name
CGP-35024
Synonyms
3-Aminopropyl(methyl)phosphinic Acid; 3-Apmpa; 3-aminopropyl(methyl)phosphinic Acid; skf-97541; 127729-35-5; F 97541; CGP 35024; SKF 97541; (3-(Aminopropyl)methyl)phosphinic acid; CHEMBL112710; SKF 97541 hydrochloride; CGP35024; SKF-97,541; (3-aminopropyl)(methyl)phosphinic acid; Phosphinic acid, (3-(aminopropyl)methyl)-; (3-ammoniopropyl)methylphosphinate; SR-01000076225; (3-aminopropyl)methylphosphinic acid; Tocris-0379; Phosphinic acid, (3-aminopropyl)methyl-; Lopac-A-196; AC1L1JVX; Biomol-NT_000257; AC1Q6RJ4; Lopac0_000098; C4H12NO2P; SKF-97541
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) 137.12
Logarithm of the Partition Coefficient (xlogp) -4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C4H12NO2P
IUPAC Name
3-aminopropyl(methyl)phosphinic acid
Canonical SMILES
CP(=O)(CCCN)O
InChI
InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
InChIKey
NHVRIDDXGZPJTJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5230
CAS Number
127729-35-5
TTD ID
D08LFC

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 Inhibition of transient LES relaxations and reflux in ferrets by GABA receptor agonists. Am J Physiol. 1999 Oct;277(4 Pt 1):G867-74.