Compound Detail
CHEMBL231617
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Basic Information
| ChEMBL ID | CHEMBL231617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYADAHMTAQTPQG-UWVJOHFNSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.28
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C delta type CHEMBL2560 | Ki | 9.02 | 8.15 | 1.0 | 2 |
| Protein kinase C alpha type CHEMBL2567 | Ki | 8.46 | 8.46 | 3.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C delta type | Ki | = | 0.96 | nM | 9.02 | Displacement of [3H]PDBu from mouse wild type C1b domain of PKCdelta expressed i... | 17591763 |
| Protein kinase C alpha type | Ki | = | 3.49 | nM | 8.46 | Displacement of [3H]PDBu from mouse recombinant PKCalpha expressed in Escherichi... | 17591763 |
| Protein kinase C delta type | Ki | = | 53.0 | nM | 7.28 | Displacement of [3H]PDBu from mouse PKCdelta C1b Q27E mutant expressed in Escher... | 17591763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17591763 | 10.1021/jm0702579 | Protein kinase C delta type | 3 |
| 17591763 | 10.1021/jm0702579 | Protein kinase C alpha type | 1 |
Data from ChEMBL 36 via Core Engine