Details of the Drug

General Information of Drug (ID: DMP8OXL)

Drug Name

2-Fluoro-6-(3-phenoxy-benzoylamino)-benzoic acid

Synonyms

CHEMBL426645; BDBM23611; 3-Phenoxybenzoylamino deriv., 28e; 2-fluoro-6-(3-phenoxybenzoylamino)benzoic acid; 2-fluoro-6-[(3-phenoxybenzene)amido]benzoic acid

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

351.3

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C20H14FNO4
IUPAC Name: 2-fluoro-6-[(3-phenoxybenzoyl)amino]benzoic acid
Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NC3=C(C(=CC=C3)F)C(=O)O
InChI: InChI=1S/C20H14FNO4/c21-16-10-5-11-17(18(16)20(24)25)22-19(23)13-6-4-9-15(12-13)26-14-7-2-1-3-8-14/h1-12H,(H,22,23)(H,24,25)
InChIKey: MUCVEZAGZUMXAG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11772508
TTD ID: D0O4IV

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]

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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.