Details of the Drug

General Information of Drug (ID: DM9U8TO)

Drug Name

CGP-36216

Synonyms

CGP-36216; CHEMBL325921; 123691-29-2; SCHEMBL2348729; RWCIPYZWXPUGRM-UHFFFAOYSA-N; ethyl(3-aminopropyl)phosphinic acid; 3-aminopropyl(ethyl)phosphinic acid; (3-aminopropyl)ethylphosphinic acid; ZINC13742894; PDSP1_000409; PDSP2_000407; ethyl-(3-aminopropyl)phosphinic acid; BDBM50032972; (3-Amino-propyl)-ethyl-phosphinic acid; Phosphinic acid, P-(3-aminopropyl)-P-ethyl-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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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)

-3.6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C5H14NO2P
IUPAC Name: 3-aminopropyl(ethyl)phosphinic acid
Canonical SMILES: CCP(=O)(CCCN)O
InChI: InChI=1S/C5H14NO2P/c1-2-9(7,8)5-3-4-6/h2-6H2,1H3,(H,7,8)
InChIKey: RWCIPYZWXPUGRM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9898878
TTD ID: D0N4WZ

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Biological activity of 3-aminopropyl (methyl) phosphinic acid, a potent and selective GABAB agonist with CNS activity, Bioorg. Med. Chem. Lett. 3(4):515-518 (1993).