Compound Detail
CHEMBL472316
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Cc1cc2c(c(=O)o1)C=C1CC[C@H](C(C)Cn3cc(C)c(=O)[nH]c3=O)C[C@@H]1O2
Basic Information
| ChEMBL ID | CHEMBL472316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFDFTJAPSISDSE-ULQHUPADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
2.39
ALogP
6
HBA
1
HBD
94.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.16 | 5.16 | 6920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 6920.0 | nM | 5.16 | Cell protective activity in human MC65 cells assessed as protection against amyl... | 19121940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19121940 | 10.1016/j.bmcl.2008.12.060 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine