Compound Detail
CHEMBL4297613
CILOFEXOR 🧪 Phase III
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🧪 Phase III
O=C(O)c1ccnc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1
Basic Information
| ChEMBL ID | CHEMBL4297613 |
| Name | CILOFEXOR |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | KZSKGLFYQAYZCO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
5
Known Names
4
Indications
1
Mechanisms
Molecular Properties
586.9
MW (Da)
6.56
ALogP
7
HBA
2
HBD
108.9
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Bile acid receptor FXR agonist | AGONIST | Bile acid receptor | ✓ | ✓ |
Indications
Cholangitis, Sclerosing Liver Cirrhosis, Biliary Non-alcoholic Fatty Liver Disease Non-alcoholic Fatty Liver Disease
Activity Summary
EC50 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | EC50 | 7.82 | 7.5367 | 15.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | EC50 | = | 15.0 | nM | 7.82 | Agonist activity at FXR (unknown origin) | 31930920 |
| Bile acid receptor | EC50 | = | 40.0 | nM | 7.4 | Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) E... | - |
| Bile acid receptor | EC50 | = | 41.0 | nM | 7.39 | Agonist activity at FXR (unknown origin) by cell based assay | 31930920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | HEK-293T | 7 |
| - | 10.6019/CHEMBL5724696 | TERT-RPE1 | 4 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 3 |
| 31930920 | 10.1021/acs.jmedchem.9b01701 | Bile acid receptor | 2 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease III-like protein 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 2 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Adenine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | DNA-3-methyladenine glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Methyl-CpG-binding domain protein 4 | 1 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
Data from ChEMBL 36 via Core Engine