General Information of the Compound
Compound ID
CP0407959
Compound Name
4-butyl-N-quinolin-3-ylbenzamide
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Synonyms
(4-butylphenyl)-N-(3-quinolyl)carboxamide
4-butyl-N-(quinolin-3-yl)benzamide
4-butyl-N-quinolin-3-ylbenzamide
AC1LXX0M
AKOS022106211
BDBM50376281
CHEMBL259385
MCULE-9844265532
MolPort-002-564-310
Oprea1_455948
SCHEMBL846651
SR-01000396347
ST020606
STL329914
ZINC2228626
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Structure
Formula
C20H20N2O
Molecular Weight
304.393
Canonical SMILES
CCCCc1ccc(cc1)C(=O)Nc1cnc2ccccc2c1
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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)
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InChIKey
LEGBMUNFZPMJOG-UHFFFAOYSA-N
Physicochemical Property
logP
4.8297
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 1860395
ChEMBL ID
CHEMBL259385
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 230 nM
   TI
   LI
   LO
   TS
2
Ki = 53 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-butyl-N-(quinolin-3-yl)benzamide )
Drug Name 4-butyl-N-(quinolin-3-yl)benzamide
Target(s)
Transient receptor potential cation channel V1 (TRPV1)
Inhibitor