Details of the Drug

General Information of Drug (ID: DMW198G)

Drug Name

4-pentyl-N-pyridin-3-yl benzamide

Synonyms

CHEMBL321932; 4-pentyl-N-pyridin-3-yl benzamide; AC1MDVHQ; 4-pentyl-N-pyridin-3-ylbenzamide; MolPort-002-889-076; ZINC3128742; 4-Pentyl-N-pyridin-3-yl-benzamide; BDBM50147079

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)

268.35

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C17H20N2O
IUPAC Name: 4-pentyl-N-pyridin-3-ylbenzamide
Canonical SMILES: CCCCCC1=CC=C(C=C1)C(=O)NC2=CN=CC=C2
InChI: InChI=1S/C17H20N2O/c1-2-3-4-6-14-8-10-15(11-9-14)17(20)19-16-7-5-12-18-13-16/h5,7-13H,2-4,6H2,1H3,(H,19,20)
InChIKey: DZLXEBWNAFQZQI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2796370
TTD ID: D08WAW

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	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.