Details of the Drug

General Information of Drug (ID: DMALRCH)

Drug Name

Phaclofen

Synonyms

Phaclofen; 114012-12-3; [3-amino-2-(4-chlorophenyl)propyl]phosphonic acid; (3-Amino-2-(4-chlorophenyl)propyl)phosphonic acid; Phosphonic acid, (3-amino-2-(4-chlorophenyl)propyl)-; 3-Amino-2-(4-chlorophenyl)propylphosphonic acid; 3-Amino-2-(4-chlorophenyl) propylphosphonic acid; Phosphonic acid,P-[3-amino-2-(4-chlorophenyl)propyl]-; SR-01000075640; Phaclofen, solid; beta-(4-Chlorophenyl)-3-aminopropylphosphonic acid; ACMC-20djlx; 108351-35-5; AC1Q3NDJ; AC1L1BWO; Biomol-NT_000256; Lopac0_000967; SCHEMBL339995; GTPL1091

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)

249.63

Logarithm of the Partition Coefficient (xlogp)

-2.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C9H13ClNO3P
IUPAC Name: [3-amino-2-(4-chlorophenyl)propyl]phosphonic acid
Canonical SMILES: C1=CC(=CC=C1C(CN)CP(=O)(O)O)Cl
InChI: InChI=1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)
InChIKey: VSGNGLJPOGUDON-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1641
CAS Number: 114012-12-3
TTD ID: D02HNM

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	Antagonist	[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: 1091).
2	Astrocytes and interneurons in memory processing in the chick hippocampus: roles for G-coupled protein receptors, GABA(B) and mGluR1. Neurochem Res. 2009 Oct;34(10):1712-20.