Compound Detail
CHEMBL3645226
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Basic Information
| ChEMBL ID | CHEMBL3645226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMOVSNYTMBTHHA-MDWZMJQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
6.18
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 60.0 | nM | 7.22 | Radioactivity Assay: The determination of IC50 values was performed with enzyme ... | - |
Data from ChEMBL 36 via Core Engine