General Information of the Compound
Compound ID
CP0177179
Compound Name
methyl 3-[(4-anilino-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylate
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Synonyms
1014691-61-2
3-(((2-Methoxy-4-(phenylamino)phenyl)amino]sulfonyl)-2-thiophenecarboxylic acid methyl ester
3-[[[2-METHOXY-4-(PHENYLAMINO)PHENYL]AMINO]SULFONYL]-2-THIOPHENECARBOXYLIC ACID METHYL ESTER
3-[[[2-Methoxy-4-(phenylamino)phenyl]amino]sulfonyl]-2-thiophenecarboxylicacidmethylester
C19H18N2O5S2
CHEMBL592652
GSK 0660
GSK-0660
GSK0660
methyl 3-(N-(2-methoxy-4-(phenylamino)phenyl)sulfamoyl)thiophene-2-carboxylate
methyl 3-[(4-anilino-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylate
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Structure
Formula
C19H18N2O5S2
Molecular Weight
418.496
Canonical SMILES
COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC
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InChI
InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
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InChIKey
NDFKBGWLUHKMFY-UHFFFAOYSA-N
Physicochemical Property
logP
4.0877
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
93.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 46233311
ChEMBL ID
CHEMBL592652
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: PT00909, Peroxisome proliferator-activated receptor delta
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
IC50 = 316.23 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 3400 nM
2 EC50 = 4000 nM
3 EC50 = 4340 nM
4 EC50 = 5400 nM
5 IC50 = 158.49 nM
6 Ki = 4.65 nM
Clinical Information about the Compound
Drug 1 ( GSK-0660 )
Drug Name GSK-0660
Target(s)
Peroxisome proliferator-activated receptor delta (PPARD)
 Target Info 
Inhibitor