Details of the Drug

General Information of Drug (ID: DM5I6O2)

Drug Name

4-(3-methylpyridin-2-yl)-N-p-tolylbenzamide

Synonyms

CHEMBL215015; 4-(3-methylpyridin-2-yl)-N-p-tolylbenzamide

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)

302.4

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H18N2O
IUPAC Name: N-(4-methylphenyl)-4-(3-methylpyridin-2-yl)benzamide
Canonical SMILES: CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=C(C=CC=N3)C
InChI: InChI=1S/C20H18N2O/c1-14-5-11-18(12-6-14)22-20(23)17-9-7-16(8-10-17)19-15(2)4-3-13-21-19/h3-13H,1-2H3,(H,22,23)
InChIKey: ACHPKRXTLZWRLG-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transient receptor potential cation channel V1 (TRPV1)	TTMI6F5	TRPV1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	From arylureas to biarylamides to aminoquinazolines: discovery of a novel, potent TRPV1 antagonist. Bioorg Med Chem Lett. 2006 Oct 1;16(19):5217-21.