Compound Detail
CHEMBL1650647
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Basic Information
| ChEMBL ID | CHEMBL1650647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQVXBXGVWKFEJF-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
4.98
ALogP
3
HBA
2
HBD
53.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 7.41 | 7.3 | 39.0 | 2 |
| 17-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2789 | IC50 | 6.23 | 5.855 | 583.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 39.0 | nM | 7.41 | Radioactivity Assay: The determination of IC50 values was performed with enzyme ... | - |
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 64.0 | nM | 7.19 | Displacement of [3H]E1 from human placental 17beta-HSD1 after 10 mins by fluid s... | 21189020 |
| 17-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 583.0 | nM | 6.23 | Radioactivity Assay: The determination of IC50 values was performed with enzyme ... | - |
| 17-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 3340.0 | nM | 5.48 | Displacement of [3H]E2 from human placental 17beta-HSD2 after 10 mins by fluid s... | 21189020 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21189020 | 10.1021/jm1009082 | 17-beta-hydroxysteroid dehydrogenase type 1 | 4 |
| 21189020 | 10.1021/jm1009082 | 17-beta-hydroxysteroid dehydrogenase type 2 | 3 |
| 21189020 | 10.1021/jm1009082 | Estrogen receptor beta | 1 |
| 21189020 | 10.1021/jm1009082 | Estrogen receptor | 1 |
| 21189020 | 10.1021/jm1009082 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine