Compound Detail
CHEMBL4566781
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Basic Information
| ChEMBL ID | CHEMBL4566781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXYLWIBRLBSRAT-XFMPKHEZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
2.84
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.42
Ki 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 4.42 | 4.42 | 38300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | Ki | = | 5000.0 | nM | 5.3 | Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unkn... | 31294974 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 38300.0 | nM | 4.42 | Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unkn... | 31294974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31294974 | 10.1021/acs.jmedchem.9b00187 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 31294974 | 10.1021/acs.jmedchem.9b00187 | 3T3-L1 | 1 |
| 31294974 | 10.1021/acs.jmedchem.9b00187 | 11-beta-hydroxysteroid dehydrogenase type 2 | 1 |
Data from ChEMBL 36 via Core Engine