Compound Detail
CHEMBL1081172
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Basic Information
| ChEMBL ID | CHEMBL1081172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAPRFHNDECPPJX-BYYRLHKVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
3.88
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 6.71 | 6.71 | 193.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 193.0 | nM | 6.71 | Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scin... | 19836949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19836949 | 10.1016/j.bmcl.2009.09.113 | 17-beta-hydroxysteroid dehydrogenase type 1 | 2 |
Data from ChEMBL 36 via Core Engine