Details of the Drug

General Information of Drug (ID: DMQTBRM)

Drug Name

[3H]CGP27492

Synonyms

3-Aminopropylphosphinic acid; 3-aminopropylphosphinic acid; 3-Aminopropanephosphinic acid; CGP-27492; Cgp 27492; 3-Aminopropylphosphonous acid; Phosphinic acid, (3-aminopropyl); 3-aminopropyl-hydroxy-oxophosphanium; CHEMBL112203; [3H]3-APPA; [3H]-3-APPA; Cgp 27 492; [3H]-CGP27492; AC1O3S7O; SCHEMBL341549; GTPL5381; GTPL1081; BDBM24184; CTK8G4752; (3-Amino-propyl)-phosphinic acid; ZTHNRNOOZGJLRR-UHFFFAOYSA-N; MolPort-019-939-257; CGP27492; 3-aminopropyl-hydroxy-oxo-phosphonium; BN0804; PDSP2_001468; PDSP1_001484; FCH933647; 3-aminopropylphosphinic; [3H]-CGP27492

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): 0

Molecular Weight (mw)

122.08

Logarithm of the Partition Coefficient (xlogp)

-1.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C3H9NO2P+
IUPAC Name: 3-aminopropyl-hydroxy-oxophosphanium
Canonical SMILES: C(CN)C[P+](=O)O
InChI: InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1
InChIKey: MQIWYGZSHIXQIU-UHFFFAOYSA-O

Cross-matching ID

PubChem CID: 6335948
CAS Number: 103680-47-3
TTD ID: D07BIF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[2]
Gamma-aminobutyric acid B receptor (GABBR)	TTDCVZW	GABR1_HUMAN ; GABR2_HUMAN	Inhibitor	[3]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[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: 5381).
2	Phosphinic acid analogues of GABA. 1. New potent and selective GABAB agonists. J Med Chem. 1995 Aug 18;38(17):3297-312.
3	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).