Compound Detail
CHEMBL3645221
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Basic Information
| ChEMBL ID | CHEMBL3645221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KESSYXPZIFWCBQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
4.48
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| 17-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2789 | IC50 | 6.39 | 6.39 | 403.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 10.0 | nM | 8.0 | Radioactivity Assay: The determination of IC50 values was performed with enzyme ... | - |
| 17-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 403.0 | nM | 6.39 | Radioactivity Assay: The determination of IC50 values was performed with enzyme ... | - |
Data from ChEMBL 36 via Core Engine