Compound Detail
CHEMBL2005968
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C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO
Basic Information
| ChEMBL ID | CHEMBL2005968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYTXTXAMMDTYDQ-AKXKBWEISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
2.75
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.21 | 7.21 | 62.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 62.3 | nM | 7.21 | 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 | C2C12 | 1 |
| 23498916 | 10.1016/j.bmc.2013.02.009 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine