Compound Detail
CHEMBL2018140
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Basic Information
| ChEMBL ID | CHEMBL2018140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEUREEDLNOYZLY-ZSOIEALJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
410.7
MW (Da)
4.50
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 3 CHEMBL4234 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 3 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of human recombinant 17-beta-HSD3 expressed in human HeLa cells using... | 22512907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22512907 | 10.1016/j.bmc.2012.03.052 | Androgen receptor | 2 |
| 22512907 | 10.1016/j.bmc.2012.03.052 | Estrogen receptor | 2 |
| 22512907 | 10.1016/j.bmc.2012.03.052 | Glucocorticoid receptor | 2 |
| 22512907 | 10.1016/j.bmc.2012.03.052 | 17-beta-hydroxysteroid dehydrogenase type 3 | 1 |
| 22512907 | 10.1016/j.bmc.2012.03.052 | 17-beta-hydroxysteroid dehydrogenase type 1 | 1 |
| 22512907 | 10.1016/j.bmc.2012.03.052 | 17-beta-hydroxysteroid dehydrogenase type 2 | 1 |
Data from ChEMBL 36 via Core Engine