Compound Detail
CHEMBL1076306
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Basic Information
| ChEMBL ID | CHEMBL1076306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBBUVYMNJTXJOH-IDLUEMFASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
4.22
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 85.0 | nM | 7.07 | Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scin... | 19836949 |
| Estrogen receptor | IC50 | = | 6200.0 | nM | 5.21 | Displacement of [3H]17beta-estradiol from human ERalpha expressed in SF9 cells | 19836949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19836949 | 10.1016/j.bmcl.2009.09.113 | 17-beta-hydroxysteroid dehydrogenase type 1 | 2 |
| 19836949 | 10.1016/j.bmcl.2009.09.113 | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine