Details of the Drug

General Information of Drug (ID: DMN6DAZ)

Drug Name

N-(4-tert-butylphenyl)-4-(pyridin-2-yl)benzamide

Synonyms

CHEMBL183121; N-(4-tert-butylphenyl)-4-(pyridin-2-yl)benzamide; SCHEMBL3873012; JWPYMHAYISNKIC-UHFFFAOYSA-N; BDBM50160036; N-(4-tert-butylphenyl)-4-(2-pyridinyl)benzamide

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)

330.4

Logarithm of the Partition Coefficient (xlogp)

5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C22H22N2O
IUPAC Name: N-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=N3
InChI: InChI=1S/C22H22N2O/c1-22(2,3)18-11-13-19(14-12-18)24-21(25)17-9-7-16(8-10-17)20-6-4-5-15-23-20/h4-15H,1-3H3,(H,24,25)
InChIKey: JWPYMHAYISNKIC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11472986
TTD ID: D0W3VM

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)

MIA Detail

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.