Compound Detail
CHEMBL5219806
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CC(C)[C@@]12C[C@@H](C[C@@H](CCCCc3ccccc3)O1)OC(=O)C[C@H](CO)OC(=O)CCO2
Basic Information
| ChEMBL ID | CHEMBL5219806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSSIEJNTKGYHRD-NMOFPLQQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
3.56
ALogP
7
HBA
1
HBD
91.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | Ki | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 100.0 | nM | 7.0 | Inhibition of [3H]-PDBu binding to PKCalpha C1A domain (unknown origin) by compe... | 36113282 |
| Protein kinase C delta type | Ki | = | 130.0 | nM | 6.89 | Inhibition of [3H]-PDBu binding to PKCdelta C1B domain (unknown origin) by compe... | 36113282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36113282 | 10.1016/j.bmc.2022.116988 | Protein kinase C alpha type | 1 |
| 36113282 | 10.1016/j.bmc.2022.116988 | Protein kinase C delta type | 1 |
| 36113282 | 10.1016/j.bmc.2022.116988 | Unchecked | 1 |
| 36113282 | 10.1016/j.bmc.2022.116988 | NCI-H460 | 1 |
| 36113282 | 10.1016/j.bmc.2022.116988 | MKN-45 | 1 |
Data from ChEMBL 36 via Core Engine