General Information of the Compound
Compound ID
CP0041219
Compound Name
Actos
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Synonyms
Actos
(+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methyl)-2,4-thiazolidinedione
(+/-)-5-[[4-[2-(5-Ethyl-2-pyridinyl)-ethoxy]phenyl]methyl]-2,4-thiazolidinedione
(+/-)-5-[p-[2-(ethyl-2-pyridyl)ethoxy]benzyl]-2,4-thiazolidinedione
105355-27-9
111025-46-8
2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-(9CI)
5-((4-(2-(5-Ethyl-2-pyridinyl)ethoxy)phenyl)methyl)-2,4-thiazolidinedione
5-(4-(2-(5-ethyl-2-pyridyl)ethoxy)benzyl)-2,4-thiazolidinedione
5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl)thiazolidine-2,4-dione
5-[4-[2-(5-ETHYL-2-PYRIDYL)ETHOXY]BENZYL]-2,4-THIAZOLIDINEDIONE
5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]thiazolidine-2,4-dione
5-[[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-2,4-thiazolidinedione
5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione
5-[[4-[2-[(5-ethyl-2-pyridyl)]ethoxy]phenyl]methyl]thiazolidine-2,4-dione
5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione
AD 4833
AD-4833
Actos
Actos (TN)
Actost
C19H20N2O3S
CHEBI:8228
Duetact
Glustin
Glustin (TN)
HS-0047
HSDB 7322
Linagliptin + pioglitazone
PCG1
Pioglitazona
Pioglitazona [INN-Spanish]
Pioglitazone
Pioglitazone (Actos)
Pioglitazone (INN)
Pioglitazone [BAN:INN]
Pioglitazone [INN:BAN]
Pioglitazonum
Pioglitazonum [INN-Latin]
U 72107
U 72107A
U-72107
U72,107A
Zactos
Zactos (TN)
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Structure
Formula
C19H20N2O3S
Molecular Weight
356.447
Canonical SMILES
CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
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InChI
InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
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InChIKey
HYAFETHFCAUJAY-UHFFFAOYSA-N
CAS
111025-46-8
105355-27-9
Physicochemical Property
logP
3.1596
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 4829
SID: 22395182
ChEMBL ID
CHEMBL595
DrugBank ID
DB01132
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: PT00918, Amine oxidase [flavin-containing] A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 35069 nM
   TI
   LI
   LO
   TS
Protein ID: PT05334, ATP-binding cassette sub-family C member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 49500 nM
   TI
   LI
   LO
   TS
Protein ID: PT04542, Bile salt export pump
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 400 nM
   TI
   LI
   LO
   TS
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001002 GeneBLAzer UAS-bla HEK 293H Homo sapiens (Human)  1
1
EC50 = 98 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 140 nM
   TI
   LI
   LO
   TS
2
EC50 = 390 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  5
1
EC50 = 200 nM
   TI
   LI
   LO
   TS
2
EC50 = 300 nM
   TI
   LI
   LO
   TS
3
EC50 = 320 nM
   TI
   LI
   LO
   TS
4
EC50 = 380 nM
   TI
   LI
   LO
   TS
5
EC50 = 1400 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  4
1
EC50 = 210 nM
   TI
   LI
   LO
   TS
2
EC50 = 800 nM
   TI
   LI
   LO
   TS
3
EC50 = 1100 nM
   TI
   LI
   LO
   TS
4
IC50 = 22000 nM
   TI
   LI
   LO
   TS
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 390 nM
   TI
   LI
   LO
   TS
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  3
1
EC50 = 550 nM
   TI
   LI
   LO
   TS
2
EC50 = 580 nM
   TI
   LI
   LO
   TS
3
EC50 = 588.84 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 570 nM
   TI
   LI
   LO
   TS
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
EC50 = 2053 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 600 nM
2 EC50 = 970 nM
3 EC50 = 1280 nM
4 EC50 = 1600 nM
5 EC50 = 6700 nM
6 IC50 = 720 nM
7 IC50 = 800 nM
8 IC50 = 855 nM
9 IC50 = 1790 nM
10 IC50 = 7400 nM
11 IC50 = 8000 nM
12 Ki = 62 nM
13 Ki = 96 nM
14 Ki = 340 nM
15 Ki = 600 nM
16 Ki = 630 nM
17 Ki = 1230.27 nM
Protein ID: PT02973, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 690 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 700 nM
Clinical Information about the Compound
Drug 1 ( Pioglitazone )
Drug Name Pioglitazone
Company Takeda Pharmaceuticals
Indication
Diabetic complication
Approved
Type-2 diabetes
Phase 3
Obesity
Investigative
Target(s)
Peroxisome proliferator-activated receptor gamma (PPAR-gamma)
Agonist