Compound Detail
CHEMBL133656
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Basic Information
| ChEMBL ID | CHEMBL133656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCFLRZWZJAAAGE-UHFFFAOYSA-N |
2
Targets
6
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
4.93
ALogP
4
HBA
1
HBD
55.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.51
Ki 2 meas. best 8.59
EC50 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 8.59 | 8.59 | 2.6 | 2 |
| Progesterone receptor CHEMBL208 | IC50 | 7.51 | 7.335 | 31.0 | 2 |
| Progesterone receptor CHEMBL208 | EC50 | 5.99 | 5.99 | 1024.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 5.84 | 5.84 | 1460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 2.6 | nM | 8.59 | Binding affinity against human progesterone receptor (hPR) in a competitive bind... | 10743938 |
| Progesterone receptor | Ki | = | 2.57 | nM | 8.59 | Displacement of [3H]progesterone from Progesterone receptor | 16821785 |
| Progesterone receptor | IC50 | = | 31.0 | nM | 7.51 | Antagonist activity against human progesterone receptor (hPR) using cotransfecti... | 10743938 |
| Progesterone receptor | IC50 | = | 70.0 | nM | 7.16 | Antagonist activity against human progesterone receptor (hPR) in T47D human brea... | 10743938 |
| Progesterone receptor | EC50 | = | 1024.0 | nM | 5.99 | Human progesterone receptor (hPR) agonist activity in T47D human breast cancer c... | 10743938 |
| Androgen receptor | IC50 | = | 1460.0 | nM | 5.84 | Cross-reactivity as binding to human androgen receptor (hAR) | 10743938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10743938 | 10.1016/s0960-894x(00)00011-1 | Progesterone receptor | 9 |
| 10743938 | 10.1016/s0960-894x(00)00011-1 | Androgen receptor | 2 |
| 10743938 | 10.1016/s0960-894x(00)00011-1 | Glucocorticoid receptor | 2 |
| 10743938 | 10.1016/s0960-894x(00)00011-1 | Estrogen receptor | 2 |
| 10743938 | 10.1016/s0960-894x(00)00011-1 | Mineralocorticoid receptor | 2 |
| 16821785 | 10.1021/jm060234e | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine