Compound Detail
CHEMBL1644047
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Basic Information
| ChEMBL ID | CHEMBL1644047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSRUBKOVBDZAMB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
4.17
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2789 | IC50 | 6.16 | 6.16 | 696.0 | 1 |
| 17-beta-hydroxysteroid dehydrogenase type 1 CHEMBL3181 | IC50 | 5.07 | 5.07 | 8516.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 696.0 | nM | 6.16 | Inhibition of [3H]E2 binding to human placental 17beta-HSD2 after 20 mins | 21211981 |
| 17-beta-hydroxysteroid dehydrogenase type 1 | IC50 | = | 8516.0 | nM | 5.07 | Inhibition of [3H]E1 binding to human placental 17beta-HSD1 after 20 mins | 21211981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21211981 | 10.1016/j.bmc.2010.12.013 | 17-beta-hydroxysteroid dehydrogenase type 1 | 2 |
| 21211981 | 10.1016/j.bmc.2010.12.013 | 17-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 21211981 | 10.1016/j.bmc.2010.12.013 | Unchecked | 1 |
| 21211981 | 10.1016/j.bmc.2010.12.013 | Estrogen receptor | 1 |
| 21211981 | 10.1016/j.bmc.2010.12.013 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine