Compound Detail
CHEMBL512731
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Basic Information
| ChEMBL ID | CHEMBL512731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRJVGOVDMMTDJE-HJULIUOESA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.9
MW (Da)
3.15
ALogP
4
HBA
2
HBD
61.7
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.11
Ki 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | Ki | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 78.0 | nM | 7.11 | Inhibition of human 11beta-HSD1 expressed in CHO cells assessed as conversion of... | 19053753 |
| 11-beta-hydroxysteroid dehydrogenase 1 | Ki | = | 110.0 | nM | 6.96 | Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using ... | 19053753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053753 | 10.1021/jm801073z | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
Data from ChEMBL 36 via Core Engine