Compound Detail
CHEMBL3645216
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Basic Information
| ChEMBL ID | CHEMBL3645216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQLYGRBBQRSEDT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
7.35
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| 17-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2789 | IC50 | 5.38 | 5.38 | 4190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 500.0 | nM | 6.3 | Radioactivity Assay: The determination of IC50 values was performed with enzyme ... | - |
| 17-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 4190.0 | nM | 5.38 | Radioactivity Assay: The determination of IC50 values was performed with enzyme ... | - |
Data from ChEMBL 36 via Core Engine