Compound Detail
CHEMBL512447
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C=C1C[C@@]23CC[C@@H]4[C@](C)(CO)CCC[C@@]4(C)[C@@H]2CC[C@H]1C3
Basic Information
| ChEMBL ID | CHEMBL512447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUJQVRFWMWRMIO-GNVSMLMZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
288.5
MW (Da)
4.95
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 5.85 | 5.85 | 1417.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 5.81 | 5.81 | 1553.0 | 1 |
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3746 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 1417.0 | nM | 5.85 | Inhibition of human 11beta-HSD1 expressed in HEK293 cell microsomes assessed as ... | 23747808 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 1553.0 | nM | 5.81 | Inhibition of mouse 11beta-HSD1 expressed in HEK293 cell microsomes assessed as ... | 23747808 |
| 11-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of human 11beta-HSD2 | 23747808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17055730 | 10.1016/j.bmc.2006.09.048 | Trypanosoma cruzi | 5 |
| 23747808 | 10.1016/j.ejmech.2013.05.010 | 11-beta-hydroxysteroid dehydrogenase 1 | 4 |
| 23747808 | 10.1016/j.ejmech.2013.05.010 | Unchecked | 2 |
| 23747808 | 10.1016/j.ejmech.2013.05.010 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
| 8786370 | 10.1021/np960416j | Human immunodeficiency virus 1 | 1 |
| 15387677 | 10.1021/np040062t | L929 | 1 |
| 15387677 | 10.1021/np040062t | K562 | 1 |
| 15387677 | 10.1021/np040062t | HeLa | 1 |
| 9584397 | 10.1021/np970497z | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine