Details of the Drug

General Information of Drug (ID: DMRX4HM)

Drug Name

2-(3-(3-bromophenyl)ureido)-4-chlorobenzoic acid

Synonyms

CHEMBL154700; 2-(3-(3-bromophenyl)ureido)-4-chlorobenzoic acid; SCHEMBL6431740; ZINC1491954; BDBM50137125; AKOS012857302; 2-[3-(3-Bromo-phenyl)-ureido]-4-chloro-benzoic acid

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

369.6

Topological Polar Surface Area (xlogp)

4.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H10BrClN2O3
IUPAC Name: 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzoic acid
Canonical SMILES: C1=CC(=CC(=C1)Br)NC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O
InChI: InChI=1S/C14H10BrClN2O3/c15-8-2-1-3-10(6-8)17-14(21)18-12-7-9(16)4-5-11(12)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKey: QRRARWFCZGWJJY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9799478
TTD ID: D0N1CL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic kainate 1 (GRIK1)	TT0MYE2	GRIK1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Bioisosteric modifications of 2-arylureidobenzoic acids: selective noncompetitive antagonists for the homomeric kainate receptor subtype GluR5. J Med Chem. 2004 Dec 30;47(27):6948-57.
2	Development of medications for alcohol use disorders: recent advances and ongoing challenges. Expert Opin Emerg Drugs. 2005 May;10(2):323-43.
3	Pharmacogenetics of new analgesics. Br J Pharmacol. 2011 Jun;163(3):447-60.
4	The efficacy of the AMPA receptor antagonist NS1209 and lidocaine in nerve injury pain: a randomized, double-blind, placebo-controlled, three-way crossover study. Anesth Analg. 2009 Apr;108(4):1311-9.
5	4,10-Dihydro-4-oxo-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-2-carboxylic acid derivatives: highly potent and selective AMPA receptors antagonists with... Bioorg Med Chem Lett. 2000 May 15;10(10):1133-7.
6	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: 450).
7	Chemo-enzymatic synthesis of a series of 2,4-syn-functionalized (S)-glutamate analogues: new insight into the structure-activity relation of ionotr... J Med Chem. 2008 Jul 24;51(14):4093-103.
8	Synthesis of chiral 1-(2'-amino-2'-carboxyethyl)-1,4-dihydro-6,7-quinoxaline-2,3-diones: alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionate recep... J Med Chem. 1996 Oct 25;39(22):4430-8.