Compound Detail
CHEMBL2391969
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Basic Information
| ChEMBL ID | CHEMBL2391969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHAIJYTWSYJSSZ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
467.4
MW (Da)
5.54
ALogP
6
HBA
0
HBD
69.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.35
Ki 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL2391 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL2391 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3746 | IC50 | 7.52 | 7.52 | 30.4 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 4.5 | nM | 8.35 | Inhibition of rat 11beta-HSD1 | 23659858 |
| 11-beta-hydroxysteroid dehydrogenase 1 | Ki | = | 7.0 | nM | 8.15 | Inhibition of rat 11beta-HSD1 | 23659858 |
| 11-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 30.4 | nM | 7.52 | Inhibition of human microsomal 11beta-HSD2 assessed as inhibition of conversion ... | 23659858 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of human microsomal 11beta-HSD1 assessed as inhibition of conversion ... | 23659858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23659858 | 10.1016/j.bmcl.2013.03.011 | Brain | 4 |
| 23659858 | 10.1016/j.bmcl.2013.03.011 | Plasma | 4 |
| 23659858 | 10.1016/j.bmcl.2013.03.011 | Rattus norvegicus | 3 |
| 23659858 | 10.1016/j.bmcl.2013.03.011 | 11-beta-hydroxysteroid dehydrogenase 1 | 3 |
| 23659858 | 10.1016/j.bmcl.2013.03.011 | ADMET | 2 |
| 23659858 | 10.1016/j.bmcl.2013.03.011 | Mus musculus | 2 |
| 23659858 | 10.1016/j.bmcl.2013.03.011 | Cerebrospinal fluid | 2 |
| 23659858 | 10.1016/j.bmcl.2013.03.011 | Nucleic Acid | 1 |
| 23659858 | 10.1016/j.bmcl.2013.03.011 | Unchecked | 1 |
| 23659858 | 10.1016/j.bmcl.2013.03.011 | 11-beta-hydroxysteroid dehydrogenase type 2 | 1 |
Data from ChEMBL 36 via Core Engine