Details of the Drug

General Information of Drug (ID: DMR54SW)

Drug Name

2-(4-pentylphenyl)-N-(pyridin-3-yl)acetamide

Synonyms

CHEMBL260464

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)

282.4

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H22N2O
IUPAC Name: 2-(4-pentylphenyl)-N-pyridin-3-ylacetamide
Canonical SMILES: CCCCCC1=CC=C(C=C1)CC(=O)NC2=CN=CC=C2
InChI: InChI=1S/C18H22N2O/c1-2-3-4-6-15-8-10-16(11-9-15)13-18(21)20-17-7-5-12-19-14-17/h5,7-12,14H,2-4,6,13H2,1H3,(H,20,21)
InChIKey: VYJQGHFNPZKVTQ-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.