Details of the Drug

General Information of Drug (ID: DMX4DUR)

Drug Name
2-(3-bromobenzoylamino)-4-chlorobenzoic acid
Synonyms
827325-60-0; 2-[(3-bromobenzoyl)amino]-4-chlorobenzoic acid; CHEMBL225612; 2-(3-Bromobenzamido)-4-chlorobenzoic acid; Benzoic acid, 2-[(3-bromobenzoyl)amino]-4-chloro-; 2-(3-bromobenzoylamino)-4-chlorobenzoic acid; AC1N8QX1; SCHEMBL14075271; CTK3D6918; KS-00003MRF; DTXSID50401927; MolPort-002-885-931; ZINC4104976; ZX-AN021268; ALBB-022752; BDBM50158557; AKOS005107642; MCULE-7998531013; MS-0095; R4909; SR-01000309735; SR-01000309735-1; 2-[(3-bromobenzoyl)amino]-4-chlorobenzenecarboxylic 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) 354.58
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H9BrClNO3
IUPAC Name
2-[(3-bromobenzoyl)amino]-4-chlorobenzoic acid
Canonical SMILES
C1=CC(=CC(=C1)Br)C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O
InChI
InChI=1S/C14H9BrClNO3/c15-9-3-1-2-8(6-9)13(18)17-12-7-10(16)4-5-11(12)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKey
NKUSVNRZDILGSG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4323128
CAS Number
827325-60-0
TTD ID
D01RSH

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.