Compound Detail
CHEMBL4095004
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Basic Information
| ChEMBL ID | CHEMBL4095004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVTKSOWJHPPTJU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
3.66
ALogP
7
HBA
1
HBD
93.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| 17-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2789 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in act... | 27852458 |
| 17-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as su... | 27852458 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27852458 | 10.1016/j.ejmech.2016.11.004 | 17-beta-hydroxysteroid dehydrogenase type 1 | 1 |
| 27852458 | 10.1016/j.ejmech.2016.11.004 | 17-beta-hydroxysteroid dehydrogenase type 2 | 1 |
| 27852458 | 10.1016/j.ejmech.2016.11.004 | Unchecked | 1 |
| 27852458 | 10.1016/j.ejmech.2016.11.004 | Estrogen receptor | 1 |
| 27852458 | 10.1016/j.ejmech.2016.11.004 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine