Compound Detail
CHEMBL3137856
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CCCCCC[C@@]1(O)CC[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1
Basic Information
| ChEMBL ID | CHEMBL3137856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUFKNLCDOHRDMW-VOTDOTPFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
374.6
MW (Da)
6.30
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 3 CHEMBL4234 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 3 | IC50 | = | 100.0 | nM | 7.0 | Inhibitory concentration against type-3 17-beta-HSD expressed in HEK293 cells | 11086723 |
| 17-beta-hydroxysteroid dehydrogenase type 3 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of type-3 17 beta-hydroxysteroid dehydrogenase expressed in HEK293 ce... | 16078844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11086723 | 10.1016/s0960-894x(00)00517-5 | 17-beta-hydroxysteroid dehydrogenase type 3 | 3 |
| 16078844 | 10.1021/jm058179h | 17-beta-hydroxysteroid dehydrogenase type 3 | 3 |
Data from ChEMBL 36 via Core Engine