General Information of the Compound
Compound ID
CP0373097
Compound Name
4-Pentyl-N-pyridin-3-yl-benzamide
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Synonyms
4-Pentyl-N-pyridin-3-yl-benzamide
4-pentyl-N-pyridin-3-yl benzamide
4-pentyl-N-pyridin-3-ylbenzamide
AC1MDVHQ
BDBM50147079
CHEMBL321932
MolPort-002-889-076
ZINC3128742
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Structure
Formula
C17H20N2O
Molecular Weight
268.36
Canonical SMILES
CCCCCc1ccc(cc1)C(=O)Nc1cccnc1
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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)
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InChIKey
DZLXEBWNAFQZQI-UHFFFAOYSA-N
Physicochemical Property
logP
4.0666
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 2796370
ChEMBL ID
CHEMBL321932
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)  3
1
EC50 = 900 nM
   TI
   LI
   LO
   TS
2
EC50 = 1700 nM
   TI
   LI
   LO
   TS
3
Ki = 421 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-pentyl-N-pyridin-3-yl benzamide )
Drug Name 4-pentyl-N-pyridin-3-yl benzamide
Target(s)
Transient receptor potential cation channel V1 (TRPV1)
Inhibitor