Compound Detail
CHEMBL305946
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Basic Information
| ChEMBL ID | CHEMBL305946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUBMCHJRDVLYFG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
3.35
ALogP
3
HBA
2
HBD
77.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.68
IC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | EC50 | 8.68 | 8.68 | 2.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.54 | 7.54 | 29.0 | 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 | Agonistic activity measures the ability to induce alkaline phosphatase in T47D h... | 15081005 |
| Unchecked | IC50 | = | 29.0 | nM | 7.54 | Displacement of [3H]progesterone at progesterone receptor of T47D cells | 15081005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081005 | 10.1016/j.bmcl.2004.02.054 | Progesterone receptor | 2 |
| 15081005 | 10.1016/j.bmcl.2004.02.054 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine