Compound Detail
CHEMBL394369
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Basic Information
| ChEMBL ID | CHEMBL394369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQGISFDJEJMKIL-JAIQZWGSSA-N |
5
Targets
7
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
6.12
ALogP
6
HBA
3
HBD
71.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.15
IC50 2 meas. best 9.7
EC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | EC50 | 9.7 | 9.7 | 0.2 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 9.15 | 9.15 | 0.7 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 6.54 | 6.54 | 290.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | Ki | 6.01 | 6.01 | 980.0 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucocorticoid receptor | EC50 | = | 0.2 | nM | 9.7 | Agonist activity at human GR expressed in CV1 cells by GRE activation assay | 17705362 |
| Glucocorticoid receptor | IC50 | = | 0.2 | nM | 9.7 | Activity at human GR expressed in NHDFneo cells assessed as inhibition of IL-6 p... | 17705362 |
| Glucocorticoid receptor | Ki | = | 0.7 | nM | 9.15 | Binding affinity to GR | 17705362 |
| RPMI-8226 | IC50 | = | 4.9 | nM | 8.31 | Antiproliferative activity against human RPMI8226 cells after 4 days | 17705362 |
| Androgen receptor | Ki | = | 290.0 | nM | 6.54 | Binding affinity to AR | 17705362 |
| Mineralocorticoid receptor | Ki | = | 980.0 | nM | 6.01 | Binding affinity to MR | 17705362 |
| Progesterone receptor | Ki | = | 1400.0 | nM | 5.85 | Binding affinity to PR | 17705362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17705362 | 10.1021/jm070370z | Glucocorticoid receptor | 5 |
| 17705362 | 10.1021/jm070370z | RPMI-8226 | 5 |
| 17705362 | 10.1021/jm070370z | Mineralocorticoid receptor | 1 |
| 17705362 | 10.1021/jm070370z | Progesterone receptor | 1 |
| 17705362 | 10.1021/jm070370z | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine