Details of the Drug

General Information of Drug (ID: DMGW9XJ)

Drug Name

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

Synonyms

CHEMBL259396; 4-butyl-N-pyridin-3-ylbenzamide; 4-butyl-N-(pyridin-3-yl)benzamide; AC1N7X0I; Oprea1_505737; MolPort-003-720-572; ZINC3899411; STK493059; BDBM50376254; AKOS001583267; MCULE-4107696507; (4-butylphenyl)-N-(3-pyridyl)carboxamide; ST50859128; SR-01000396349

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)

254.33

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C16H18N2O
IUPAC Name: 4-butyl-N-pyridin-3-ylbenzamide
Canonical SMILES: CCCCC1=CC=C(C=C1)C(=O)NC2=CN=CC=C2
InChI: InChI=1S/C16H18N2O/c1-2-3-5-13-7-9-14(10-8-13)16(19)18-15-6-4-11-17-12-15/h4,6-12H,2-3,5H2,1H3,(H,18,19)
InChIKey: KDHOWTVYQKITMO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4286311
TTD ID: D00XZZ

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.