Details of the Drug

General Information of Drug (ID: DM3J6HM)

Drug Name

CGP-35582

Synonyms

CGP-35582; CHEMBL113396; SCHEMBL341418; Phosphinic acid, P-(3-amino-1-methylpropyl)-P-methyl-; CCFBFTKQKRGULP-UHFFFAOYSA-N; BDBM50032971; 133345-75-2; P-(4-aminobut-2-yl)-P-methyl-phosphinic acid; (3-Amino-1-methyl-propyl)-methyl-phosphinic acid

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)

151.14

Logarithm of the Partition Coefficient (xlogp)

-3.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C5H14NO2P
IUPAC Name: 4-aminobutan-2-yl(methyl)phosphinic acid
Canonical SMILES: CC(CCN)P(=O)(C)O
InChI: InChI=1S/C5H14NO2P/c1-5(3-4-6)9(2,7)8/h5H,3-4,6H2,1-2H3,(H,7,8)
InChIKey: CCFBFTKQKRGULP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10219532
TTD ID: D0V0LA

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)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Phosphinic acid analogues of GABA. 1. New potent and selective GABAB agonists. J Med Chem. 1995 Aug 18;38(17):3297-312.