Details of the Drug

General Information of Drug (ID: DMRMGWF)

Drug Name

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

Synonyms

CHEMBL259385; 4-butyl-N-(quinolin-3-yl)benzamide; AC1LXX0M; Oprea1_455948; SCHEMBL846651; 4-butyl-N-quinolin-3-ylbenzamide; MolPort-002-564-310; ZINC2228626; STL329914; BDBM50376281; AKOS022106211; MCULE-9844265532; ST020606; (4-butylphenyl)-N-(3-quinolyl)carboxamide; SR-01000396347

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)

304.4

Logarithm of the Partition Coefficient (xlogp)

5.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H20N2O
IUPAC Name: 4-butyl-N-quinolin-3-ylbenzamide
Canonical SMILES: CCCCC1=CC=C(C=C1)C(=O)NC2=CC3=CC=CC=C3N=C2
InChI: InChI=1S/C20H20N2O/c1-2-3-6-15-9-11-16(12-10-15)20(23)22-18-13-17-7-4-5-8-19(17)21-14-18/h4-5,7-14H,2-3,6H2,1H3,(H,22,23)
InChIKey: LEGBMUNFZPMJOG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1860395
TTD ID: D00ZWU

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.