Details of the Drug

General Information of Drug (ID: DM5ETL9)

Drug Name

2-[3-(Pyridin-4-yloxy)-benzoylamino]-benzoic acid

Synonyms

2-[3-(Pyridin-4-yloxy)benzoylamino]benzoic acid; CHEMBL438975; BDBM23613; 2-benzoylamino benzoic acid deriv., 28g; 2-{[3-(pyridin-4-yloxy)benzene]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)

334.3

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C19H14N2O4
IUPAC Name: 2-[(3-pyridin-4-yloxybenzoyl)amino]benzoic acid
Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)OC3=CC=NC=C3
InChI: InChI=1S/C19H14N2O4/c22-18(21-17-7-2-1-6-16(17)19(23)24)13-4-3-5-15(12-13)25-14-8-10-20-11-9-14/h1-12H,(H,21,22)(H,23,24)
InChIKey: YATZGUOENCNURV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11209825
TTD ID: D0K9GC

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.