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Compound Detail

CHEMBL225157

RESATORVID
🧪 Phase III
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🧪 Phase III
CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225157
Name RESATORVID
Phase Phase III
Structure Type MOL
InChI Key LEEIJTHMHDMWLJ-CQSZACIVSA-N

Known Names

Cli-095 Resatorvid Tak-242
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
10
Publications
3
Known Names
2
Indications
1
Mechanisms

Molecular Properties

361.8
MW (Da)
3.26
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C15H17ClFNO4S
MW 361.82
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.12

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Toll-like receptor 4 inhibitor INHIBITOR Toll-like receptor 4 ✓ ✓

Indications

Sepsis Acute-On-Chronic Liver Failure

Activity Summary

IC50 8 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toll-like receptor 4
CHEMBL1795167
 IC50 8.89 8.6475 1.3 4
RAW264.7
CHEMBL612557
 IC50 8.89 8.7833 1.3 3
Toll-like receptor 4
CHEMBL5255
 IC50 6.17 6.17 680.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 1.3 nM 8.89 Inhibition of LPS-induced IL6 production in mouse RAW264.7 cells by ELISA 16279805
Toll-like receptor 4 IC50 = 1.3 nM 8.89 Antagonist activity at TLR4 in mouse peritoneal macrophages assessed as inhibiti... 37163340
RAW264.7 IC50 = 1.8 nM 8.74 Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells 16279805
Toll-like receptor 4 IC50 = 1.8 nM 8.74 Antagonist activity at TLR4 in mouse peritoneal macrophages assessed as inhibiti... 37163340
RAW264.7 IC50 = 1.9 nM 8.72 Inhibition of LPS-induced TNFalpha production in mouse RAW264.7 cells by ELISA 16279805
Toll-like receptor 4 IC50 = 1.9 nM 8.72 Antagonist activity at TLR4 in mouse peritoneal macrophages assessed as inhibiti... 37163340
Toll-like receptor 4 IC50 = 5.7 nM 8.24 Inhibition of TLR4 in LPS/INFgamma stimulated mouse peritoneal macrophages asses... 26422006
Toll-like receptor 4 IC50 = 680.0 nM 6.17 Inhibition of human TLR4 signaling expressed in HEK-Blue cells co-expressing MD2... 29472126

Literature References

PubMed DOI Target Context # Activities
16279805 10.1021/jm050623t Mus musculus 6
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
16279805 10.1021/jm050623t RAW264.7 3
37163340 10.1021/acs.jmedchem.2c01655 Toll-like receptor 4 3
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
19161283 10.1021/jm801333m Mus musculus 1
26422006 10.1021/acs.jmedchem.5b01091 Toll-like receptor 4 1
29472126 10.1016/j.bmc.2018.02.013 Toll-like receptor 4 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine