Compound Detail
CHEMBL589883
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Basic Information
| ChEMBL ID | CHEMBL589883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODZHLDRQCZXQFQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
210.6
MW (Da)
2.46
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 3 CHEMBL4234 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 3 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human 17beta-HSD3 expressed in HeLa cells | 19954971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19932027 | 10.1016/j.bmc.2009.10.047 | Unchecked | 2 |
| 19954971 | 10.1016/j.bmcl.2009.10.111 | 17-beta-hydroxysteroid dehydrogenase type 3 | 1 |
| 19932027 | 10.1016/j.bmc.2009.10.047 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine