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Compound Detail

CHEMBL282686

TESAGLITAZAR
🧪 Phase III
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🧪 Phase III
CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL282686
Name TESAGLITAZAR
Phase Phase III
Structure Type MOL
InChI Key CXGTZJYQWSUFET-IBGZPJMESA-N

Known Names

AR-H-039242 AR-H039242XX Az-242 BR-44608 Galida Tesaglitazar
4
Targets
27
Activities
3
Assay Types
15
PK Parameters
20
Publications
6
Known Names
1
Indications
2
Mechanisms

Molecular Properties

408.5
MW (Da)
2.68
ALogP
6
HBA
1
HBD
99.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -glitazar
USAN Year 2004

Extended Properties

Molecular Formula C20H24O7S
MW 408.47
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.13

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Peroxisome proliferator-activated receptor alpha agonist AGONIST Peroxisome proliferator-activated receptor alpha ✓ ✓
Peroxisome proliferator-activated receptor gamma agonist AGONIST Peroxisome proliferator-activated receptor gamma ✓ ✓

Indications

Diabetes Mellitus, Type 2

Activity Summary

EC50 22 meas. best 7.89
Ki 3 meas. best 7.75
IC50 2 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 EC50 7.89 6.3438 13.0 8
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 Ki 7.75 7.75 18.0 1
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 EC50 7.43 5.9536 37.0 11
Peroxisome proliferator-activated receptor gamma
CHEMBL2459
 Ki 6.7 6.7 200.0 1
Peroxisome proliferator-activated receptor gamma
CHEMBL2459
 EC50 6.6 6.6 250.0 2
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 IC50 6.46 6.46 350.0 1
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 Ki 6.0 6.0 1000.0 1
Peroxisome proliferator-activated receptor alpha
CHEMBL2128
 EC50 5.77 5.77 1700.0 1
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 IC50 5.42 5.42 3800.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 7.3 ng/g.hr Mus musculus
AUC 2107.0 ng/g.hr Mus musculus
CL 0.039 mL.min-1.kg-1 Homo sapiens
CL 0.032 mL.min-1.kg-1 Homo sapiens
CL 0.039 mL.min-1.kg-1 Homo sapiens
CL 0.039 mL.min-1.kg-1 Homo sapiens
CL 4.7 mL.min-1.kg-1 Homo sapiens
CL 0.135 mL.min-1.kg-1 Macaca fascicularis
CL 0.03 mL.min-1.kg-1 Homo sapiens
Fu 0.0011 - Homo sapiens
Fu 0.0011 - Homo sapiens
Fu 1.51e-05 - Macaca fascicularis
Fu 2.73e-05 - Homo sapiens
MRT 56.0 hr Homo sapiens
T1/2 45.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor gamma EC50 = 13.0 nM 7.89 Agonist activity at human PPARgamma ligand binding domain expressed in human Hep... 18805005
Peroxisome proliferator-activated receptor gamma Ki = 18.0 nM 7.75 Displacement of [3H]Rosiglitazone from human PPARgamma 18255290
Peroxisome proliferator-activated receptor alpha EC50 = 37.0 nM 7.43 Agonist activity at human PPARalpha at 100 uM by GAL4 transactivation assay rela... 18255290
Peroxisome proliferator-activated receptor gamma EC50 = 130.0 nM 6.89 Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) E... -
Peroxisome proliferator-activated receptor gamma Ki = 200.0 nM 6.7 Binding affinity for murine peroxisome proliferator activated receptor gamma 15293980
Peroxisome proliferator-activated receptor gamma EC50 = 250.0 nM 6.6 Effective concentration against murine peroxisome proliferator activated recepto... 15293980
Peroxisome proliferator-activated receptor gamma EC50 = 250.0 nM 6.6 Agonist activity at 3' GAL4 DNA binding domain fused mouse PPARgamma LBD express... 28539218
Peroxisome proliferator-activated receptor alpha EC50 = 290.0 nM 6.54 Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) E... -
Peroxisome proliferator-activated receptor gamma IC50 = 350.0 nM 6.46 Receptor binding affinity to human Peroxisome proliferator activated receptor ga... 12672231
Peroxisome proliferator-activated receptor gamma EC50 = 360.0 nM 6.44 Agonist activity at GAL4N fused human PPARgamma LBD expressed in HEK293 cells co... 28539218
Peroxisome proliferator-activated receptor alpha EC50 = 414.0 nM 6.38 Agonist activity at human PPARalpha by GAL4 transactivation assay 18255290
Peroxisome proliferator-activated receptor gamma EC50 = 704.0 nM 6.15 Agonist activity at human PPARgamma ligand binding domain expressed in african g... 18826205
Peroxisome proliferator-activated receptor gamma EC50 = 704.0 nM 6.15 Agonist activity at human PPARgamma expressed in african green monkey CV-1 co-tr... 18771917
Peroxisome proliferator-activated receptor alpha EC50 = 820.0 nM 6.09 Agonist activity at human PPARalpha ligand binding domain expressed in human Hep... 18805005
Peroxisome proliferator-activated receptor alpha Ki = 1000.0 nM 6.0 Binding affinity for human peroxisome proliferator activated receptor alpha 15293980
Peroxisome proliferator-activated receptor alpha EC50 = 1200.0 nM 5.92 Agonist activity at GAL4-fused PPARalpha assessed as transcriptional activity by... 23084275
Peroxisome proliferator-activated receptor alpha EC50 = 1200.0 nM 5.92 Agonistic activity for Peroxisome proliferator activated receptor alpha 12672231
Peroxisome proliferator-activated receptor gamma EC50 = 1300.0 nM 5.89 Agonist activity at GAL4-fused PPARgamma assessed as transcriptional activity by... 23084275
Peroxisome proliferator-activated receptor gamma EC50 = 1300.0 nM 5.89 Agonistic activity for human Peroxisome proliferator activated receptor gamma 12672231
Peroxisome proliferator-activated receptor alpha EC50 = 1700.0 nM 5.77 Effective concentration against human peroxisome proliferator activated receptor... 15293980

Literature References

PubMed DOI Target Context # Activities
20070106 10.1021/jm901371v Homo sapiens 8
- 10.6019/CHEMBL5303304 Fibroblast 8
32985885 10.1021/acs.jmedchem.0c01033 ADMET 7
- 10.6019/CHEMBL5303304 HEK-293T 7
18625559 10.1016/j.bmc.2008.06.050 Rattus norvegicus 4
- 10.6019/CHEMBL5724696 TERT-RPE1 4
19376700 10.1016/j.bmcl.2009.03.143 Mus musculus 4
18426954 10.1124/dmd.108.020479 ADMET 4
- 10.6019/CHEMBL5303304 U2OS 4
32787092 10.1021/acs.jmedchem.0c00868 ADMET 4
18805005 10.1016/j.bmcl.2008.08.112 Rattus norvegicus 4
28539218 10.1016/j.bmcl.2017.05.037 Peroxisome proliferator-activated receptor gamma 3
29446942 10.1021/acs.jmedchem.7b01285 Rattus norvegicus 3
18805005 10.1016/j.bmcl.2008.08.112 Mus musculus 3
18255290 10.1016/j.bmcl.2008.01.067 Peroxisome proliferator-activated receptor gamma 3
28539218 10.1016/j.bmcl.2017.05.037 Peroxisome proliferator-activated receptor alpha 3
21215640 10.1016/j.bmc.2010.12.023 Mus musculus 2
18255290 10.1016/j.bmcl.2008.01.067 Peroxisome proliferator-activated receptor alpha 2
17157019 10.1016/j.bmcl.2006.11.050 Mus musculus 2
15293980 10.1021/jm030631e Peroxisome proliferator-activated receptor alpha 2

Data from ChEMBL 36 via Core Engine