Compound Detail
CHEMBL467151
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Basic Information
| ChEMBL ID | CHEMBL467151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIVQIQQCUPQEGH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
315.2
MW (Da)
4.68
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| 17-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2789 | IC50 | 6.19 | 6.19 | 639.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human placental 17beta-HSD1 assessed as conversion of [3H]estrone ... | 18630892 |
| 17-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 639.0 | nM | 6.19 | Inhibition of human placental 17beta-HSD2 assessed as conversion of [3H]17beta-e... | 18630892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18630892 | 10.1021/jm800367k | 17-beta-hydroxysteroid dehydrogenase type 1 | 3 |
| 18630892 | 10.1021/jm800367k | 17-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 18630892 | 10.1021/jm800367k | Unchecked | 1 |
| 18630892 | 10.1021/jm800367k | Estrogen receptor beta | 1 |
| 18630892 | 10.1021/jm800367k | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine