Compound Detail
CHEMBL1761320
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Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(CCS(=O)(=O)CC(F)(F)F)(CC1)CC2
Basic Information
| ChEMBL ID | CHEMBL1761320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVNIPOVLJBAUGM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
509.5
MW (Da)
5.46
ALogP
5
HBA
0
HBD
64.8
PSA (Ų)
0.49
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| 11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3746 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 1.5 | nM | 8.82 | Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion... | 21421311 |
| 11-beta-hydroxysteroid dehydrogenase 1 | IC50 | = | 3.7 | nM | 8.43 | Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion... | 21421311 |
| 11-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of human 11beta-HSD2 expressed in CHO-K1 cells assessed as conversion... | 21421311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine