Details of the Drug

General Information of Drug (ID: DMDT7SK)

Drug Name

2-[(biphenyl-4-carbonyl)-amino]-benzoic acid

Synonyms

2-[(biphenyl-4-ylcarbonyl)amino]benzoic acid; 94578-69-5; AC1LIZYF; 2-[(4-phenylbenzoyl)amino]benzoic Acid; Oprea1_107922; CHEMBL370865; SCHEMBL14075233; BDBM16094; MolPort-000-468-692; ZINC499675; STK068761; BBL015607; AKOS002229873; MCULE-9626131737; 2-[(4-phenylbenzene)amido]benzoic acid; ST50103720; H3372; 2-[(4-phenylphenyl)carbonylamino]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): 1

Molecular Weight (mw)

317.3

Logarithm of the Partition Coefficient (xlogp)

5.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H15NO3
IUPAC Name: 2-[(4-phenylbenzoyl)amino]benzoic acid
Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O
InChI: InChI=1S/C20H15NO3/c22-19(21-18-9-5-4-8-17(18)20(23)24)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,21,22)(H,23,24)
InChIKey: WXLRBDMDGLLZRS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 914489
TTD ID: D0R1GF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)	TT3PQ2Y	PYRD_PLAF7	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The first de novo designed inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase. Bioorg Med Chem Lett. 2006 Jan 1;16(1):88-92.