General Information of the Compound
Compound ID
CP0429946
Compound Name
Efatutazone
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Synonyms
223132-37-4
4CA-1384
5-[4-[6-(4-amino-3 ,5-dimethylphenoxy)-1-methyl-1H-benzimidazol-2-ylmethoxy]benzyl]thiazolidine-2,4-dione
5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy]phenyl]methyl]-2,4-Thiazolidinedione
AKOS030526729
BCP07478
CHEMBL3545280
CS-0778
CS-7017
DA-07988
DB11894
Efatutazone
Efatutazone [INN]
Efatutazone;CS-7017;RS5444
FT-0737589
HY-14792
Inolitazone
JCYNMRJCUYVDBC-UHFFFAOYSA-N
KB-77905
PMID25416646-Compound-Figure2-I
QC-10456
RS5444
SCHEMBL3246054
Thiazolidine dione crystalline derivative 1
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Structure
Formula
C27H26N4O4S
Molecular Weight
502.596
Canonical SMILES
Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N
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InChI
InChI=1S/C27H26N4O4S/c1-15-10-20(11-16(2)25(15)28)35-19-8-9-21-22(13-19)31(3)24(29-21)14-34-18-6-4-17(5-7-18)12-23-26(32)30-27(33)36-23/h4-11,13,23H,12,14,28H2,1-3H3,(H,30,32,33)
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InChIKey
JCYNMRJCUYVDBC-UHFFFAOYSA-N
CAS
223132-37-4
Physicochemical Property
logP
5.03774
Rotatable Bonds
7
Heavy Atom Count
36
Polar Areas
108.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
36

"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: 9832447
SID: 15319082
ChEMBL ID
CHEMBL3545280
DrugBank ID
DB11894
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: PT00915, Peroxisome proliferator-activated receptor gamma
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
EC50 = 0.038 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Thiazolidine dione crystalline derivative 1 )
Drug Name Thiazolidine dione crystalline derivative 1
Company Daiichi Sankyo Co., Ltd
Target(s)
Peroxisome proliferator-activated receptor gamma (PPAR-gamma)
 Target Info 
Agonist
Drug 2 ( Efatutazone )
Drug Name Efatutazone
Company Daiichi Sankyo
Indication
Non-small-cell lung cancer
Phase 2
Metastatic colorectal cancer
Phase 2