Details of the Drug

General Information of Drug (ID: DMY8GZP)

Drug Name
2-(4-Bromo-3-phenoxy-benzoylamino)-benzoic acid
Synonyms CHEMBL178585; BDBM23581; 2-(4-bromo-3-phenoxybenzoylamino)benzoic acid; 2-[(4-bromo-3-phenoxybenzene)amido]benzoic acid; (3-Phenoxybenzoylamino)benzoic acid deriv., 23b
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): 1 Molecular Weight (mw) 412.2
Logarithm of the Partition Coefficient (xlogp) 5.1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H14BrNO4
IUPAC Name
2-[(4-bromo-3-phenoxybenzoyl)amino]benzoic acid
Canonical SMILES
C1=CC=C(C=C1)OC2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Br
InChI
InChI=1S/C20H14BrNO4/c21-16-11-10-13(12-18(16)26-14-6-2-1-3-7-14)19(23)22-17-9-5-4-8-15(17)20(24)25/h1-12H,(H,22,23)(H,24,25)
InChIKey
XOENRMSDPFHAEO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11441298
TTD ID
D00GIB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Beta-ketoacyl-ACP synthase III (Bact fabH) TTRVTMX FABH_ECOLI Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Structure-based design, synthesis, and study of potent inhibitors of beta-ketoacyl-acyl carrier protein synthase III as potential antimicrobial age... J Med Chem. 2005 Mar 10;48(5):1596-609.