Compound Detail
CHEMBL2348985
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CN1CCN(CC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)C4=CC[C@@]32C)CC1
Basic Information
| ChEMBL ID | CHEMBL2348985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSRMBVZHMPGDFI-FEPIEJAYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.6
MW (Da)
2.99
ALogP
5
HBA
1
HBD
60.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.24 | 5.24 | 5780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 5780.0 | nM | 5.24 | Inhibition of TNFalpha-induced NFkappaB activation in mouse C2C12 cells incubate... | 23498916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23498916 | 10.1016/j.bmc.2013.02.009 | Glucocorticoid receptor | 1 |
| 23498916 | 10.1016/j.bmc.2013.02.009 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine