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Compound Detail

CHEMBL4091374

LANIFIBRANOR
🧪 Phase III
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🧪 Phase III
O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2ncsc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4091374
Name LANIFIBRANOR
Phase Phase III
Structure Type MOL
InChI Key OQDQIFQRNZIEEJ-UHFFFAOYSA-N

Known Names

IVA-337 Iva337 Lanifibranor
6
Targets
26
Activities
1
Assay Types
3
PK Parameters
20
Publications
3
Known Names
3
Indications
1
Mechanisms

Molecular Properties

434.9
MW (Da)
4.55
ALogP
6
HBA
1
HBD
89.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C19H15ClN2O4S2
MW 434.93
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.37

Mechanism of Action

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

Indications

Non-alcoholic Fatty Liver Disease Non-alcoholic Fatty Liver Disease Scleroderma, Diffuse

Activity Summary

EC50 26 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma
CHEMBL2459
 EC50 6.7 6.7 202.0 1
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 EC50 6.69 5.9557 206.0 14
Peroxisome proliferator-activated receptor alpha
CHEMBL2128
 EC50 6.44 6.44 366.0 1
Peroxisome proliferator-activated receptor delta
CHEMBL3979
 EC50 6.06 5.848 866.0 5
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 EC50 5.82 5.66 1500.0 4
Peroxisome proliferator-activated receptor delta
CHEMBL2458
 EC50 5.81 5.81 1560.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 29367.0 ng.hr.mL-1 Mus musculus
Cmax 24601.66 nM Mus musculus
Tmax 1.0 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor gamma EC50 = 202.0 nM 6.7 Transactivation of mouse GAL4-fused PPARgamma LBD expressed in African green mon... 29446942
Peroxisome proliferator-activated receptor gamma EC50 = 206.0 nM 6.69 Transactivation of human GAL4-fused PPARgamma LBD expressed in African green mon... 29446942
Peroxisome proliferator-activated receptor gamma EC50 = 210.0 nM 6.68 Agonist activity at human PPARgamma 32339855
Peroxisome proliferator-activated receptor gamma EC50 = 210.0 nM 6.68 Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) E... -
Peroxisome proliferator-activated receptor alpha EC50 = 366.0 nM 6.44 Transactivation of mouse GAL4-fused PPARalpha LBD expressed in African green mon... 29446942
Peroxisome proliferator-activated receptor gamma EC50 = 558.9 nM 6.25 Agonist activity at PPARgamma (unknown origin) 35060744
Peroxisome proliferator-activated receptor gamma EC50 = 600.0 nM 6.22 Agonist activity at human PPARgamma transfected in African green monkey COS-7 ce... 38522113
Peroxisome proliferator-activated receptor gamma EC50 = 727.0 nM 6.14 Transactivation of recombinant GST-tagged PPARgamma (unknown origin) expressed i... 29446942
Peroxisome proliferator-activated receptor delta EC50 = 866.0 nM 6.06 Transactivation of human GAL4-fused PPARdelta LBD expressed in African green mon... 29446942
Peroxisome proliferator-activated receptor delta EC50 = 870.0 nM 6.06 Agonist activity at human PPARdelta 32339855
Peroxisome proliferator-activated receptor delta EC50 = 900.0 nM 6.05 Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) E... -
Peroxisome proliferator-activated receptor gamma EC50 = 1140.0 nM 5.94 Displacement of N-terminal biotin-labeled SMRT-ID1 (2339 to 2363 residues) from ... 29446942
Peroxisome proliferator-activated receptor gamma EC50 = 1484.0 nM 5.83 Transactivation of recombinant GST-tagged PPARgamma (unknown origin) expressed i... 29446942
Peroxisome proliferator-activated receptor alpha EC50 = 1500.0 nM 5.82 Agonist activity at human PPARalpha 32339855
Peroxisome proliferator-activated receptor alpha EC50 = 1537.0 nM 5.81 Transactivation of human GAL4-fused PPARalpha LBD expressed in African green mon... 29446942
Peroxisome proliferator-activated receptor delta EC50 = 1560.0 nM 5.81 Transactivation of mouse GAL4-fused PPARdelta LBD expressed in African green mon... 29446942
Peroxisome proliferator-activated receptor gamma EC50 = 1917.0 nM 5.72 Transactivation of recombinant GST-tagged PPARgamma (unknown origin) expressed i... 29446942
Peroxisome proliferator-activated receptor delta EC50 = 2900.0 nM 5.54 Agonist activity at human PPARdelta transfected in African green monkey COS-7 ce... 38522113
Peroxisome proliferator-activated receptor delta EC50 = 2962.0 nM 5.53 Agonist activity at PPARdelta (unknown origin) 35060744
Peroxisome proliferator-activated receptor alpha EC50 = 3060.0 nM 5.51 Agonist activity at PPARalpha (unknown origin) 35060744

Literature References

PubMed DOI Target Context # Activities
29446942 10.1021/acs.jmedchem.7b01285 Peroxisome proliferator-activated receptor gamma 43
29446942 10.1021/acs.jmedchem.7b01285 Mus musculus 11
29446942 10.1021/acs.jmedchem.7b01285 Peroxisome proliferator-activated receptor delta 8
29446942 10.1021/acs.jmedchem.7b01285 Peroxisome proliferator-activated receptor alpha 8
- 10.6019/CHEMBL5303304 HEK-293T 7
- 10.6019/CHEMBL5724696 TERT-RPE1 4
- 10.6019/CHEMBL5303304 Fibroblast 4
29446942 10.1021/acs.jmedchem.7b01285 ADMET 3
29446942 10.1021/acs.jmedchem.7b01285 Rattus norvegicus 3
38522113 10.1016/j.ejmech.2024.116344 Peroxisome proliferator-activated receptor alpha 2
38522113 10.1016/j.ejmech.2024.116344 Peroxisome proliferator-activated receptor delta 2
38522113 10.1016/j.ejmech.2024.116344 Peroxisome proliferator-activated receptor gamma 2
38522113 10.1016/j.ejmech.2024.116344 Unchecked 2
35060744 10.1021/acs.jmedchem.1c02002 Peroxisome proliferator-activated receptor gamma 2
35060744 10.1021/acs.jmedchem.1c02002 Peroxisome proliferator-activated receptor delta 2
35060744 10.1021/acs.jmedchem.1c02002 Peroxisome proliferator-activated receptor alpha 2
32339855 10.1016/j.ejmech.2020.112311 Peroxisome proliferator-activated receptor gamma 1
32339855 10.1016/j.ejmech.2020.112311 Peroxisome proliferator-activated receptor delta 1
32339855 10.1016/j.ejmech.2020.112311 Peroxisome proliferator-activated receptor alpha 1
- 10.6019/CHEMBL5308504 Cyclin-dependent kinase 2 1

Data from ChEMBL 36 via Core Engine