Compound Detail
CHEMBL165612
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Basic Information
| ChEMBL ID | CHEMBL165612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRXRSSWCEOCJSO-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
4.39
ALogP
3
HBA
1
HBD
45.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.64
IC50 1 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | EC50 | 7.64 | 7.64 | 23.0 | 1 |
| T47D CHEMBL614361 | EC50 | 7.64 | 7.64 | 23.0 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 6.78 | 6.78 | 166.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | EC50 | = | 23.0 | nM | 7.64 | Agonistic activity against progesterone receptor in alkaline phosphatase assay u... | 11859003 |
| T47D | EC50 | = | 23.0 | nM | 7.64 | Effective concentration against alkaline phosphatase activity in human T47D brea... | 16078826 |
| Progesterone receptor | IC50 | = | 166.0 | nM | 6.78 | Binding affinity against progesterone receptor using human T47D breast carcinoma... | 11859003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11859003 | 10.1016/s0960-894x(02)00025-2 | Progesterone receptor | 2 |
| 16078826 | 10.1021/jm050358b | T47D | 1 |
Data from ChEMBL 36 via Core Engine