General Information of the Compound
Compound ID
CP0432067
Compound Name
4-(cyclohexylamino)-N-quinolin-3-ylbenzamide
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Synonyms
4-(cyclohexylamino)-N-(quinolin-3-yl)benzamide
CHEMBL406573
SCHEMBL846014
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Structure
Formula
C22H23N3O
Molecular Weight
345.446
Canonical SMILES
O=C(Nc1cnc2ccccc2c1)c1ccc(NC2CCCCC2)cc1
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InChI
InChI=1S/C22H23N3O/c26-22(25-20-14-17-6-4-5-9-21(17)23-15-20)16-10-12-19(13-11-16)24-18-7-2-1-3-8-18/h4-6,9-15,18,24H,1-3,7-8H2,(H,25,26)
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InChIKey
SWEAAERORIFOIX-UHFFFAOYSA-N
Physicochemical Property
logP
5.2317
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
54.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 44450288
ChEMBL ID
CHEMBL406573
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 = 10000 nM
   TI
   LI
   LO
   TS
2
Ki = 156 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(cyclohexylamino)-N-(quinolin-3-yl)benzamide )
Drug Name 4-(cyclohexylamino)-N-(quinolin-3-yl)benzamide
Target(s)
Transient receptor potential cation channel V1 (TRPV1)
Inhibitor