Compound Detail
CHEMBL292719
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O=C1OCC2O[C@@H](O)C3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC3C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O
Basic Information
| ChEMBL ID | CHEMBL292719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYMHVUYNBVWXKH-RAUQCYNJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
784.5
MW (Da)
0.67
ALogP
22
HBA
13
HBD
377.4
PSA (Ų)
0.07
QED
3
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C (PKC) | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory activity against protein kinase C of rat brain | 8289196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8289196 | 10.1021/jm00027a025 | Protein kinase C (PKC) | 2 |
| 8289196 | 10.1021/jm00027a025 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine