Compound Detail
CHEMBL318409
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Basic Information
| ChEMBL ID | CHEMBL318409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANIOYQXTAMMUKZ-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
387.9
MW (Da)
7.10
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.13
EC50 1 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 9.13 | 8.205 | 0.7 | 2 |
| Progesterone receptor CHEMBL208 | EC50 | 8.16 | 8.16 | 6.9 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.03 | 8.03 | 9.3 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 0.74 | nM | 9.13 | The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells. | 9464361 |
| Progesterone receptor | EC50 | = | 6.9 | nM | 8.16 | Agonistic activity was measured for modulation of hPR-B (human progesterone rece... | 9464361 |
| Glucocorticoid receptor | Ki | = | 9.3 | nM | 8.03 | Binding affinity for glucocorticoid receptor | 11520196 |
| Progesterone receptor | Ki | = | 53.0 | nM | 7.28 | Binding affinity for progesterone receptor | 11520196 |
| Mineralocorticoid receptor | Ki | = | 1100.0 | nM | 5.96 | Binding affinity for mineralocorticoid receptor | 11520196 |
| Androgen receptor | Ki | = | 1400.0 | nM | 5.85 | Binding affinity for androgen receptor | 11520196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9464361 | 10.1021/jm9705770 | Progesterone receptor | 3 |
| 11520196 | 10.1021/jm010228c | Glucocorticoid receptor | 1 |
| 11520196 | 10.1021/jm010228c | Progesterone receptor | 1 |
| 11520196 | 10.1021/jm010228c | Mineralocorticoid receptor | 1 |
| 11520196 | 10.1021/jm010228c | Androgen receptor | 1 |
| 11520196 | 10.1021/jm010228c | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine