Compound Detail
CHEMBL473449
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COc1ccc(Cn2c(C)cc3c(c2=O)C=C2CC[C@H](C(C)Cn4cnc(N)c5ncnc4-5)C[C@@H]2O3)cc1
Basic Information
| ChEMBL ID | CHEMBL473449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJLTTZRSKXPMKZ-OUSZHMKWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
4.17
ALogP
9
HBA
1
HBD
110.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 350.0 | nM | 6.46 | 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