Details of the Drug

General Information of Drug (ID: DMKF0GH)

Drug Name

CGP-44532

Synonyms

CGP-44532; CGP 44532; [(2R)-3-amino-2-hydroxypropyl]-methylphosphinic acid; FUUPFUIGNBPCAY-SCSAIBSYSA-N; AC1NSJP2; 133345-68-3; SCHEMBL185739; GTPL1082; CHEMBL113348; Phosphinic acid, P-[(2R)-3-amino-2-hydroxypropyl]-P-methyl-; CGP 44533; ZINC13742955; LS-106096; P-[3-amino-2(R)-hydroxy-propyl]-P-methyl-phosphinic acid

Indication

Disease Entry	ICD 11	Status	REF
Drug abuse	6C4G.1Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

153.12

Logarithm of the Partition Coefficient (xlogp)

-4.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C4H12NO3P
IUPAC Name: [(2R)-3-amino-2-hydroxypropyl]-methylphosphinic acid
Canonical SMILES: CP(=O)(C[C@@H](CN)O)O
InChI: InChI=1S/C4H12NO3P/c1-9(7,8)3-4(6)2-5/h4,6H,2-3,5H2,1H3,(H,7,8)/t4-/m1/s1
InChIKey: FUUPFUIGNBPCAY-SCSAIBSYSA-N

Cross-matching ID

PubChem CID: 5310934
CAS Number: 133345-68-3
TTD ID: D0WZ9T

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]

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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: 1082).
2	Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17.