Compound Detail
CHEMBL1761321
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Basic Information
| ChEMBL ID | CHEMBL1761321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIUAOVVCEISVLV-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
4.53
ALogP
5
HBA
0
HBD
64.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Ki 1 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL2391 | IC50 | 8.04 | 8.04 | 9.1 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL2391 | Ki | 7.88 | 7.88 | 13.1 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3746 | IC50 | 7.51 | 7.51 | 31.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion... | 21421311 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 9.1 | nM | 8.04 | Inhibition of rat 11beta-HSD1 | 23659858 |
| 11-beta-hydroxysteroid dehydrogenase 1 | Ki | = | 13.1 | nM | 7.88 | Inhibition of rat 11beta-HSD1 | 23659858 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion... | 21421311 |
| 11-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 31.2 | nM | 7.51 | Inhibition of human microsomal 11beta-HSD2 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 |
| 21421311 | 10.1016/j.bmcl.2011.01.018 | Mus musculus | 2 |
| 21421311 | 10.1016/j.bmcl.2011.01.018 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 21421311 | 10.1016/j.bmcl.2011.01.018 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 23659858 | 10.1016/j.bmcl.2013.03.011 | ADMET | 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