Details of the Drug

General Information of Drug (ID: DMNSU1H)

Drug Name

4-octyl-N-(pyridin-3-yl)benzamide

Synonyms

CHEMBL405990

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)

310.4

Logarithm of the Partition Coefficient (xlogp)

5.8

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H26N2O
IUPAC Name: 4-octyl-N-pyridin-3-ylbenzamide
Canonical SMILES: CCCCCCCCC1=CC=C(C=C1)C(=O)NC2=CN=CC=C2
InChI: InChI=1S/C20H26N2O/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)20(23)22-19-10-8-15-21-16-19/h8,10-16H,2-7,9H2,1H3,(H,22,23)
InChIKey: ONPWXUJVJZCKSY-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	N-pyridin-3-yl- and N-quinolin-3-yl-benzamides: modulators of human vanilloid receptor 1 (TRPV1). Bioorg Med Chem Lett. 2008 Apr 15;18(8):2730-4.