Compound Detail
CHEMBL4205522
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Basic Information
| ChEMBL ID | CHEMBL4205522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSPXXZPWASCPKT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
328.8
MW (Da)
3.43
ALogP
2
HBA
3
HBD
65.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 2 CHEMBL2789 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 17-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 980.0 | nM | 6.01 | Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 1... | 28319389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28319389 | 10.1021/acs.jnatprod.6b00950 | 17-beta-hydroxysteroid dehydrogenase type 2 | 1 |
| 28319389 | 10.1021/acs.jnatprod.6b00950 | 17-beta-hydroxysteroid dehydrogenase type 1 | 1 |
| 28319389 | 10.1021/acs.jnatprod.6b00950 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine