Compound Detail
CHEMBL120645
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Basic Information
| ChEMBL ID | CHEMBL120645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWVXPOMGWPAEAJ-GAKQDWLJSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
1.54
ALogP
4
HBA
3
HBD
64.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.47
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C eta type CHEMBL4992 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| Protein kinase C, PKC; classical/novel CHEMBL2096620 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Protein kinase C gamma type CHEMBL3604 | Ki | 5.99 | 5.99 | 1030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C eta type | Ki | = | 3.36 | nM | 8.47 | Inhibition of [3H]- PDBu binding to peptide D of mouse skin Protein kinase C eta | - |
| Protein kinase C, PKC; classical/novel | IC50 | = | 150.0 | nM | 6.82 | Binding to PKC in 3[H]-PBDU assay | - |
| Protein kinase C gamma type | Ki | = | 1030.0 | nM | 5.99 | Inhibition of [3H]- PDBu binding to peptide C, rat brain PKC gamma | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80169-9 | Protein kinase C, PKC; classical/novel | 1 |
| - | 10.1016/0960-894X(96)00026-1 | Protein kinase C gamma type | 1 |
| - | 10.1016/0960-894X(96)00026-1 | Protein kinase C eta type | 1 |
Data from ChEMBL 36 via Core Engine