Details of the Drug

General Information of Drug (ID: DMY60K3)

Drug Name

2-(3-biphenyl-4-yl-propionylamino)-benzoic acid

Synonyms

CHEMBL235741; SCHEMBL12671515; BDBM23519; Biaryl Anthranilide Analogue, 1c; 2-[3-(4-phenylphenyl)propanamido]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)

345.4

Logarithm of the Partition Coefficient (xlogp)

5.4

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C22H19NO3
IUPAC Name: 2-[3-(4-phenylphenyl)propanoylamino]benzoic acid
Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O
InChI: InChI=1S/C22H19NO3/c24-21(23-20-9-5-4-8-19(20)22(25)26)15-12-16-10-13-18(14-11-16)17-6-2-1-3-7-17/h1-11,13-14H,12,15H2,(H,23,24)(H,25,26)
InChIKey: CAYOKBAXZPGNTO-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nicotinic acid receptor (HCAR2)	TTWNV8U	HCAR2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of biaryl anthranilides as full agonists for the high affinity niacin receptor. J Med Chem. 2007 Dec 13;50(25):6303-6.