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)

MIA Detail

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.