Compound Detail
CHEMBL3914142
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
C[C@H](NS(=O)(=O)C1CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3914142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZASNJOSLMESTC-GKVSMKOHSA-N |
3
Targets
4
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
4.76
ALogP
5
HBA
1
HBD
73.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | IC50 | 9.04 | 8.63 | 0.9 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 5.94 | 5.94 | 1160.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 16.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | IC50 | = | 0.91 | nM | 9.04 | Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as i... | 27810243 |
| NON-PROTEIN TARGET | IC50 | = | 3.1 | nM | 8.51 | Antiinflammatory activity in human primary PBMC assessed as inhibition of LPS-in... | 27810243 |
| Glucocorticoid receptor | IC50 | = | 6.0 | nM | 8.22 | Binding affinity to GR (unknown origin) by FP assay | 27810243 |
| Progesterone receptor | IC50 | = | 1160.0 | nM | 5.94 | Binding affinity to PR (unknown origin) by FP assay | 27810243 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27810243 | 10.1016/j.bmcl.2016.10.052 | Glucocorticoid receptor | 3 |
| 27810243 | 10.1016/j.bmcl.2016.10.052 | NON-PROTEIN TARGET | 2 |
| 27810243 | 10.1016/j.bmcl.2016.10.052 | ADMET | 1 |
| 27810243 | 10.1016/j.bmcl.2016.10.052 | Progesterone receptor | 1 |
| 27810243 | 10.1016/j.bmcl.2016.10.052 | Androgen receptor | 1 |
| 27810243 | 10.1016/j.bmcl.2016.10.052 | Mineralocorticoid receptor | 1 |
| 27810243 | 10.1016/j.bmcl.2016.10.052 | Estrogen receptor | 1 |
| 27810243 | 10.1016/j.bmcl.2016.10.052 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine