General Information of the Compound
Compound ID
CP0140546
Compound Name
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
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Structure
Formula
C18H14ClN3O3S
Molecular Weight
387.848
Canonical SMILES
Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1
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InChI
InChI=1S/C18H14ClN3O3S/c19-15-5-1-2-6-16(15)22-26(24,25)14-10-8-13(9-11-14)21-18(23)17-7-3-4-12-20-17/h1-12,22H,(H,21,23)
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InChIKey
UHOGUADOCQXGIA-UHFFFAOYSA-N
Physicochemical Property
logP
3.7881
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
88.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 46182708
SID: 96035958
ChEMBL ID
CHEMBL1223083
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 27 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 162 nM