Compound Detail
CHEMBL5090458
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Basic Information
| ChEMBL ID | CHEMBL5090458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRLDWYDHYBOHCX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
376.2
MW (Da)
5.54
ALogP
3
HBA
1
HBD
53.7
PSA (Ų)
0.65
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| 17-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2789 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 2.9 | nM | 8.54 | Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as su... | 34917255 |
| 17-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 71.0 | nM | 7.15 | Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as s... | 34917255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34917255 | 10.1021/acsmedchemlett.1c00462 | 17-beta-hydroxysteroid dehydrogenase type 1 | 1 |
| 34917255 | 10.1021/acsmedchemlett.1c00462 | 17-beta-hydroxysteroid dehydrogenase type 2 | 1 |
| 34917255 | 10.1021/acsmedchemlett.1c00462 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine