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
ChEBI ID
CHEMBL112710
CAS Number
127729-35-5
TTD ID
D08LFC
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE 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 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.