Compound Detail
CHEMBL2440894
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](NC[C@H](N)C(=O)O)C[C@]12C
Basic Information
| ChEMBL ID | CHEMBL2440894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVGKPKBONYGPMB-JNMIDYNYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.6
MW (Da)
2.70
ALogP
5
HBA
3
HBD
109.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase type 2 CHEMBL3746 | IC50 | 5.17 | 5.17 | 6760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 11-beta-hydroxysteroid dehydrogenase type 2 | IC50 | = | 6760.0 | nM | 5.17 | Inhibition of human recombinant 11beta-HSD2 expressed in HEK293 cells assessed a... | 24074876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24074876 | 10.1016/j.bmc.2013.08.068 | 11-beta-hydroxysteroid dehydrogenase 1 | 2 |
| 24074876 | 10.1016/j.bmc.2013.08.068 | 11-beta-hydroxysteroid dehydrogenase type 2 | 2 |
Data from ChEMBL 36 via Core Engine