Compound Detail
CHEMBL441731
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Basic Information
| ChEMBL ID | CHEMBL441731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKSXLVZYZJGMNN-SECBINFHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
231.2
MW (Da)
1.67
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.68 | 7.48 | 20.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20.7 | nM | 7.68 | Displacement of [131I]IMTO from CYP450c 11 in Wistar rat adrenal membrane | 18348518 |
| Unchecked | IC50 | = | 52.2 | nM | 7.28 | Inhibition on cortisol secretion in human NCI-H295 cells after 48 hrs | 18348518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18348518 | 10.1021/jm800012w | Unchecked | 4 |
| 19497738 | 10.1016/j.bmcl.2009.05.065 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine