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
Logarithm of the Partition Coefficient (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]
Molecular Interaction Atlas (MIA) 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.