Compound Detail
CHEMBL322108
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 | CHEMBL322108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBYXOMZEWLMKJB-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
6.59
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.46
EC50 1 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| Progesterone receptor CHEMBL208 | EC50 | 8.03 | 8.03 | 9.3 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 6.11 | 6.11 | 785.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 3.5 | nM | 8.46 | Binding affinity was determined against hPR-A (human progesterone receptor) usin... | 9873735 |
| Progesterone receptor | EC50 | = | 9.3 | nM | 8.03 | Agonist activity was determined against hPR (human progesterone receptor) compar... | 9873735 |
| Glucocorticoid receptor | Ki | = | 130.0 | nM | 6.89 | Displacement of Dexamethasone from human glucocorticoid receptor | 9873735 |
| Androgen receptor | Ki | = | 785.0 | nM | 6.11 | Displacement of DHT from human androgen receptor | 9873735 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873735 | 10.1016/s0960-894x(98)00608-8 | Progesterone receptor | 5 |
| 9873735 | 10.1016/s0960-894x(98)00608-8 | Androgen receptor | 1 |
| 9873735 | 10.1016/s0960-894x(98)00608-8 | Glucocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine