Compound Detail
CHEMBL65929
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Basic Information
| ChEMBL ID | CHEMBL65929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTCBYBDADUSXSB-UHFFFAOYSA-N |
5
Targets
6
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
6.99
ALogP
4
HBA
1
HBD
21.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.84
EC50 1 meas. best 8.68
Ki 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | EC50 | 8.68 | 8.68 | 2.1 | 1 |
| Progesterone receptor CHEMBL208 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.84 | 6.84 | 146.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Estrogen receptor CHEMBL2093866 | IC50 | 6.2 | 6.2 | 631.0 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.17 | 6.17 | 681.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | EC50 | = | 2.1 | nM | 8.68 | Effective concentration for agonist activity towards human progesterone receptor... | 12781197 |
| Progesterone receptor | Ki | = | 6.3 | nM | 8.2 | Binding affinity to human progesterone receptor | 12781197 |
| Glucocorticoid receptor | IC50 | = | 146.0 | nM | 6.84 | Antagonist activity at glucocorticoid receptor | 12781197 |
| Androgen receptor | IC50 | = | 180.0 | nM | 6.75 | Antagonist activity against human Androgen receptor | 12781197 |
| Estrogen receptor | IC50 | = | 631.0 | nM | 6.2 | Antagonist activity at estrogen (hER) receptor | 12781197 |
| Mineralocorticoid receptor | IC50 | = | 681.0 | nM | 6.17 | Antagonist activity at mineralocorticoid receptor (hMR) | 12781197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781197 | 10.1016/s0960-894x(03)00255-5 | Progesterone receptor | 5 |
| 12781197 | 10.1016/s0960-894x(03)00255-5 | Androgen receptor | 2 |
| 12781197 | 10.1016/s0960-894x(03)00255-5 | Glucocorticoid receptor | 2 |
| 12781197 | 10.1016/s0960-894x(03)00255-5 | Estrogen receptor | 2 |
| 12781197 | 10.1016/s0960-894x(03)00255-5 | Mineralocorticoid receptor | 2 |
Data from ChEMBL 36 via Core Engine