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Compound Detail

CHEMBL107367

FARGLITAZAR
🧪 Phase II
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🧪 Phase II
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL107367
Name FARGLITAZAR
Phase Phase II
Structure Type MOL
InChI Key ZZCHHVUQYRMYLW-HKBQPEDESA-N

Known Names

Farglitazar G1-262570 GI-262570 GI-262570X Gi262570 GI262570X
4
Targets
39
Activities
3
Assay Types
0
PK Parameters
20
Publications
6
Known Names
1
Indications
1
Mechanisms

Molecular Properties

546.6
MW (Da)
6.61
ALogP
6
HBA
2
HBD
101.7
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -glitazar
USAN Year 2000

Extended Properties

Molecular Formula C34H30N2O5
MW 546.62
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -0.81

Mechanism of Action

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

Indications

Liver Cirrhosis

Activity Summary

EC50 27 meas. best 9.47
Ki 8 meas. best 8.96
IC50 4 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 EC50 9.47 8.9759 0.3 17
Peroxisome proliferator-activated receptor gamma
CHEMBL2459
 EC50 9.46 9.455 0.3 2
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 Ki 8.96 8.945 1.1 4
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 IC50 7.6 7.13 25.0 2
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 EC50 6.91 6.4475 122.0 8
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 Ki 6.31 6.31 489.8 2
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 IC50 5.92 5.73 1217.0 2
Peroxisome proliferator-activated receptor delta
CHEMBL3979
 Ki 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor gamma EC50 = 0.3388 nM 9.47 in vitro agonist activity against peroxisome proliferator activated receptor-gam... 9836622
Peroxisome proliferator-activated receptor gamma EC50 = 0.34 nM 9.47 Maximal reporter activity against human Peroxisome proliferator activated recept... 11720854
Peroxisome proliferator-activated receptor gamma EC50 = 0.34 nM 9.47 Agonist activity for Human PPAR gamma receptor in transcriptional activation ass... 10691680
Peroxisome proliferator-activated receptor gamma EC50 = 0.3388 nM 9.47 Tested functionally in vitro for inducing 50% of the maximum alkaline phosphate ... 9836621
Peroxisome proliferator-activated receptor gamma EC50 = 0.3388 nM 9.47 Transactivation of PPARgamma assessed as induction of alkaline phosphatase activ... 20444603
Peroxisome proliferator-activated receptor gamma EC50 = 0.3388 nM 9.47 Transactivation of Homo sapiens (human) PPARgamma assessed as luciferase activit... -
Peroxisome proliferator-activated receptor gamma EC50 = 0.3388 nM 9.47 Activation of peroxisome proliferator activated receptor gamma measured by induc... 9836620
Peroxisome proliferator-activated receptor gamma EC50 = 0.35 nM 9.46 Agonist activity for murine PPAR gamma receptor in transcriptional activation as... 10691680
Peroxisome proliferator-activated receptor gamma EC50 = 0.3548 nM 9.45 Compound was tested functionally in vitro for inducing 50% of the maximum alkali... 9836620
Peroxisome proliferator-activated receptor gamma EC50 = 0.6 nM 9.22 Agonist activity at PPARgamma receptor expressed in HEK293 cells by GAL4 transac... 17292606
Peroxisome proliferator-activated receptor gamma Ki = 1.1 nM 8.96 Binding affinity to human Peroxisome proliferator activated receptor gamma using... 11720854
Peroxisome proliferator-activated receptor gamma Ki = 1.148 nM 8.94 In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma... 9836620
Peroxisome proliferator-activated receptor gamma Ki = 1.148 nM 8.94 Binding affinity against peroxisome proliferator activated receptor gamma (PPAR-... 9836622
Peroxisome proliferator-activated receptor gamma Ki = 1.148 nM 8.94 Inhibition by 50% of in vitro binding to Peroxisome proliferator activated recep... 9836621
Peroxisome proliferator-activated receptor gamma EC50 = 1.4 nM 8.85 Transactivation of human Gal4-fused PPARgamma LBD expressed in African green mon... 28609708
Peroxisome proliferator-activated receptor gamma EC50 = 1.479 nM 8.83 -log concentration required to induce 50% maximum lipogenic activity against Per... 9836622
Peroxisome proliferator-activated receptor gamma EC50 = 1.479 nM 8.83 Ability to promote differentiation of C3H10T1/2 stem cells to adipocytes using l... 9836621
Peroxisome proliferator-activated receptor gamma EC50 = 1.479 nM 8.83 Ability to promote differentiation of C3H10T1/2 stem cells to adipocytes using l... 9836620
Peroxisome proliferator-activated receptor gamma EC50 = 3.0 nM 8.52 Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by... 22070604
Peroxisome proliferator-activated receptor gamma EC50 = 4.0 nM 8.4 Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 b... 22070604

Literature References

PubMed DOI Target Context # Activities
22070604 10.1021/jm201061j Peroxisome proliferator-activated receptor gamma 8
9836620 10.1021/jm9804127 Peroxisome proliferator-activated receptor gamma 4
9836620 10.1021/jm9804127 Mus musculus 4
9836620 10.1021/jm9804127 Rattus norvegicus 4
17292606 10.1016/j.bmcl.2007.01.060 Peroxisome proliferator-activated receptor gamma 4
28609708 10.1016/j.ejmech.2017.06.006 Mus musculus 4
9836620 10.1021/jm9804127 Peroxisome proliferator-activated receptor alpha 3
17292606 10.1016/j.bmcl.2007.01.060 Peroxisome proliferator-activated receptor alpha 3
17005393 10.1016/j.bmcl.2006.09.028 Peroxisome proliferator-activated receptor gamma 3
17005393 10.1016/j.bmcl.2006.09.028 Peroxisome proliferator-activated receptor alpha 3
9836621 10.1021/jm980413z Peroxisome proliferator-activated receptor gamma 3
9836622 10.1021/jm980414r Peroxisome proliferator-activated receptor gamma 3
9836620 10.1021/jm9804127 Peroxisome proliferator-activated receptor delta 3
10691680 10.1021/jm990554g Peroxisome proliferator-activated receptor gamma 2
10691680 10.1021/jm990554g Peroxisome proliferator-activated receptor delta 2
10691680 10.1021/jm990554g Peroxisome proliferator-activated receptor alpha 2
9836621 10.1021/jm980413z Peroxisome proliferator-activated receptor alpha 2
9836621 10.1021/jm980413z ADMET 2
11720854 10.1016/s0960-894x(01)00649-7 Peroxisome proliferator-activated receptor gamma 2
11720854 10.1016/s0960-894x(01)00649-7 Peroxisome proliferator-activated receptor alpha 2

Data from ChEMBL 36 via Core Engine