Details of the Drug

General Information of Drug (ID: DME39UQ)

Drug Name

CGP 47656

Synonyms

(3-Amino-propyl)-difluoromethyl-phosphinic acid; CGP-47656; CHEMBL113553; 3-aminopropyl-(difluoromethyl)phosphinic Acid; CGP47656; SCHEMBL342825; GTPL1066; TXAHGWWWANKBDA-UHFFFAOYSA-N; BDBM50032968; P-(3-aminopropyl)-P-difluoromethyl-phosphinic; CGP-47656

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)

173.1

Logarithm of the Partition Coefficient (xlogp)

-3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C4H10F2NO2P
IUPAC Name: 3-aminopropyl(difluoromethyl)phosphinic acid
Canonical SMILES: C(CN)CP(=O)(C(F)F)O
InChI: InChI=1S/C4H10F2NO2P/c5-4(6)10(8,9)3-1-2-7/h4H,1-3,7H2,(H,8,9)
InChIKey: TXAHGWWWANKBDA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10154248
TTD ID: D0J6PV

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	Agonist	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

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: 1066).
2	Expression cloning of GABA(B) receptors uncovers similarity to metabotropic glutamate receptors. Nature. 1997 Mar 20;386(6622):239-46.