Details of the Drug

General Information of Drug (ID: DMHKETG)

Drug Name

CGP-35024

Synonyms

3-Aminopropyl(methyl)phosphinic Acid; 3-Apmpa; 3-aminopropyl(methyl)phosphinic Acid; skf-97541; 127729-35-5; F 97541; CGP 35024; SKF 97541; (3-(Aminopropyl)methyl)phosphinic acid; CHEMBL112710; SKF 97541 hydrochloride; CGP35024; SKF-97,541; (3-aminopropyl)(methyl)phosphinic acid; Phosphinic acid, (3-(aminopropyl)methyl)-; (3-ammoniopropyl)methylphosphinate; SR-01000076225; (3-aminopropyl)methylphosphinic acid; Tocris-0379; Phosphinic acid, (3-aminopropyl)methyl-; Lopac-A-196; AC1L1JVX; Biomol-NT_000257; AC1Q6RJ4; Lopac0_000098; C4H12NO2P; SKF-97541

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1], [2]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

137.12

Topological Polar Surface Area (xlogp)

-4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C4H12NO2P
IUPAC Name: 3-aminopropyl(methyl)phosphinic acid
Canonical SMILES: CP(=O)(CCCN)O
InChI: InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
InChIKey: NHVRIDDXGZPJTJ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5230
CAS Number: 127729-35-5
TTD ID: D08LFC

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], [2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Inhibition of transient LES relaxations and reflux in ferrets by GABA receptor agonists. Am J Physiol. 1999 Oct;277(4 Pt 1):G867-74.
2	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).
3	Gabapentin increases a tonic inhibitory conductance in hippocampal pyramidal neurons. Anesthesiology. 2006 Aug;105(2):325-33.
4	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
5	Synthesis and pharmacology of the baclofen homologues 5-amino-4-(4-chlorophenyl)pentanoic acid and the R- and S-enantiomers of 5-amino-3-(4-chlorop... J Med Chem. 1999 Jun 3;42(11):2053-9.
6	Interactions between dopamine and GABA in the control of ambulatory activity and neophobia in the mouse. Pharmacol Biochem Behav. 1998 Jan;59(1):239-47.
7	Arbaclofen placarbil, a novel R-baclofen prodrug: improved absorption, distribution, metabolism, and elimination properties compared with R-baclofen.J Pharmacol Exp Ther.2009 Sep;330(3):911-21.
8	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. (Target id: 242).
9	Impact of acamprosate on behavior and brain-derived neurotrophic factor: an open-label study in youth with fragile X syndrome. Psychopharmacology (Berl). 2013 Jul;228(1):75-84.
10	3-Thienyl- and 3-furylaminobutyric acids. Synthesis and binding GABAB receptor studies. J Med Chem. 1991 Aug;34(8):2557-60.
11	SGS742: the first GABA(B) receptor antagonist in clinical trials. Biochem Pharmacol. 2004 Oct 15;68(8):1479-87.
12	Reversal of disease-related pathologies in the fragile X mouse model by selective activation of GABAB receptors with arbaclofen. Sci Transl Med. 2012 Sep 19;4(152):152ra128.