Compound Detail
CHEMBL135138
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Basic Information
| ChEMBL ID | CHEMBL135138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTHAQTMDPYYIEC-XKZIYDEJSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
7.13
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.58
IC50 1 meas. best 6.28
Ki 1 meas. best 7.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 7.61 | 7.61 | 24.3 | 1 |
| Progesterone receptor CHEMBL208 | EC50 | 7.58 | 7.58 | 26.3 | 1 |
| CV-1 CHEMBL613507 | IC50 | 6.28 | 6.28 | 531.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 24.3 | nM | 7.61 | Binding affinity against human progesterone receptor | 9784110 |
| Progesterone receptor | EC50 | = | 26.3 | nM | 7.58 | Effective concentration (EC50) against human progesterone receptor expressed in ... | 9784110 |
| CV-1 | IC50 | = | 531.0 | nM | 6.28 | Inhibitory concentration in CV-1 cell | 9784110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784110 | 10.1021/jm980366a | Progesterone receptor | 4 |
| 9784110 | 10.1021/jm980366a | CV-1 | 1 |
Data from ChEMBL 36 via Core Engine