Compound Detail
CHEMBL102541
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Basic Information
| ChEMBL ID | CHEMBL102541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTIMQMAYRMJPRM-UHFFFAOYSA-N |
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
422.4
MW (Da)
7.75
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.77
IC50 2 meas. best 6.65
EC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| Progesterone receptor CHEMBL208 | EC50 | 7.3 | 7.3 | 50.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.65 | 6.65 | 225.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 5.96 | 5.96 | 1089.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 5.59 | 5.59 | 2584.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 1.7 | nM | 8.77 | The binding affinity on Human progesterone receptor (hPR-A) using progesterone a... | 9464360 |
| Progesterone receptor | EC50 | = | 50.0 | nM | 7.3 | Agonistic activity to the human progesterone receptor (hPR)assayed in CV-1 cells... | 9464360 |
| Glucocorticoid receptor | Ki | = | 100.0 | nM | 7.0 | Binding affinity was determined on Human glucocorticoid receptor (hAR) using pro... | 9464360 |
| Glucocorticoid receptor | IC50 | = | 225.0 | nM | 6.65 | Antagonistic activity was determined in Human glucocorticoid receptor(hGR) of CV... | 9464360 |
| Androgen receptor | IC50 | = | 1089.0 | nM | 5.96 | Antagonistic activity was determined in Human androgen receptor(hAR) of CV-1 cel... | 9464360 |
| Androgen receptor | Ki | = | 2584.0 | nM | 5.59 | Binding affinity was determined on Human androgen receptor (hAR) using progester... | 9464360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9464360 | 10.1021/jm9705768 | Progesterone receptor | 5 |
| 9464360 | 10.1021/jm9705768 | Androgen receptor | 3 |
| 9464360 | 10.1021/jm9705768 | Glucocorticoid receptor | 3 |
| 9464360 | 10.1021/jm9705768 | Mineralocorticoid receptor | 2 |
| 9464360 | 10.1021/jm9705768 | Estrogen receptor | 2 |
Data from ChEMBL 36 via Core Engine