Compound Detail
CHEMBL233611
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL233611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKPJTOHUPQWSOJ-HSZRJFAPSA-N |
7
Targets
9
Activities
2
Assay Types
2
PK Parameters
14
Publications
0
Known Names
Molecular Properties
409.6
MW (Da)
3.58
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.52
IC50 3 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Membrane-bound transcription factor site-1 protease CHEMBL5916 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Hepatocyte CHEMBL3140324 | EC50 | 6.52 | 6.11 | 300.0 | 2 |
| Liver CHEMBL613580 | EC50 | 6.52 | 6.11 | 300.0 | 2 |
| HepG2 CHEMBL395 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
| Liver CHEMBL613642 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Coagulation factor X CHEMBL244 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 75.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 5.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Membrane-bound transcription factor site-1 protease | IC50 | = | 170.0 | nM | 6.77 | Inhibition of human S1P expressed in CHOK1 cells | 17583500 |
| Hepatocyte | EC50 | = | 300.0 | nM | 6.52 | Reduction of HMG-CoA synthase expression in mouse hepatocytes | 17583500 |
| Liver | EC50 | = | 300.0 | nM | 6.52 | Reduction of HMG-CoA synthase expression in mouse liver | 17583500 |
| HepG2 | EC50 | = | 600.0 | nM | 6.22 | Inhibition of cholesterol synthesis in HepG2 cells | 17583500 |
| Liver | EC50 | = | 600.0 | nM | 6.22 | Inhibition of cholesterol synthesis in rat liver | 17583500 |
| Hepatocyte | EC50 | = | 2000.0 | nM | 5.7 | Reduction of fatty acid synthase expression in mouse hepatocytes | 17583500 |
| Liver | EC50 | = | 2000.0 | nM | 5.7 | Reduction of fatty acid synthase expression in mouse liver | 17583500 |
| Urokinase-type plasminogen activator | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of urokinase | 17583500 |
| Coagulation factor X | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of factor 10a | 17583500 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35752380 | 10.1016/j.bmcl.2022.128866 | Unchecked | 13 |
| 17583500 | 10.1016/j.bmcl.2007.06.031 | Mus musculus | 9 |
| 17583500 | 10.1016/j.bmcl.2007.06.031 | HepG2 | 5 |
| 17583500 | 10.1016/j.bmcl.2007.06.031 | Liver | 4 |
| 17583500 | 10.1016/j.bmcl.2007.06.031 | Rattus norvegicus | 2 |
| 17583500 | 10.1016/j.bmcl.2007.06.031 | Hepatocyte | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 17583500 | 10.1016/j.bmcl.2007.06.031 | Membrane-bound transcription factor site-1 protease | 1 |
| 17583500 | 10.1016/j.bmcl.2007.06.031 | Urokinase-type plasminogen activator | 1 |
| 17583500 | 10.1016/j.bmcl.2007.06.031 | Coagulation factor X | 1 |
| 17583500 | 10.1016/j.bmcl.2007.06.031 | Low-density lipoprotein receptor | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine