General Information of the Compound
Compound ID
CP0043623
Compound Name
4-chloro-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]benzamide
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Synonyms
188591-46-0
4-Chloro-N-(2-{[5-trifluoromethyl)-2-pyridyl]sulfonyl}ethyl)benzamide
4-Chloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
4-chloro-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]benzamide
AC1MCTIO
AOB6285
Benzamide, 4-chloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]-
C15H12ClF3N2O3S
CHEMBL598608
CTK8E8261
DTXSID00384175
EX-A704
GSK 3787
GSK-3787
GSK3787
HMS1432I19
KS-00000XJC
MLS006012025
Maybridge3_000547
MolPort-002-892-395
QCR-146
SCHEMBL14968834
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Structure
Formula
C15H12ClF3N2O3S
Molecular Weight
392.786
Canonical SMILES
FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1
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InChI
InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)
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InChIKey
JFUIMTGOQCQTPF-UHFFFAOYSA-N
Physicochemical Property
logP
2.9575
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
76.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 2800647
SID: 92123070
ChEMBL ID
CHEMBL598608
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 125.89 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.21 nM
2 IC50 = 199.53 nM
3 IC50 = 233 nM
4 IC50 = 284 nM
5 IC50 = 648 nM
6 IC50 = 825 nM
7 IC50 = 1329 nM
Clinical Information about the Compound
Drug 1 ( GSK-3787 )
Drug Name GSK-3787
Target(s)
Peroxisome proliferator-activated receptor delta (PPARD)
Inhibitor