Details of the Drug

General Information of Drug (ID: DM6GLEA)

Drug Name

2-(3-Phenoxy-benzoylamino)-benzoic acid

Synonyms

CHEMBL178465; BDBM23579; 2-(3-Phenoxybenzamido)Benzoic Acid; 2-(3-phenoxybenzoylamino)benzoic acid; 2-[(3-phenoxybenzene)amido]benzoic acid; (3-Phenoxybenzoylamino)benzoic acid deriv., 15

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): 1

Molecular Weight (mw)

333.3

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: C20H15NO4
IUPAC Name: 2-[(3-phenoxybenzoyl)amino]benzoic acid
Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O
InChI: InChI=1S/C20H15NO4/c22-19(21-18-12-5-4-11-17(18)20(23)24)14-7-6-10-16(13-14)25-15-8-2-1-3-9-15/h1-13H,(H,21,22)(H,23,24)
InChIKey: MIKJQLWATXBRIP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11325072
TTD ID: D0O5KG

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.