Compound Detail
CHEMBL439996
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Basic Information
| ChEMBL ID | CHEMBL439996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORVUCMUEXPKXML-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
466.4
MW (Da)
3.62
ALogP
8
HBA
5
HBD
161.6
PSA (Ų)
0.18
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C eta type CHEMBL3616 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 6.43 | 6.225 | 370.0 | 2 |
| Protein kinase C gamma type CHEMBL2938 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C eta type | IC50 | = | 250.0 | nM | 6.6 | Evaluated against recombinant human Protein kinase C eta | 8978850 |
| Protein kinase C delta type | IC50 | = | 290.0 | nM | 6.54 | Evaluated against recombinant human Protein kinase C delta | 8978850 |
| Protein kinase C beta type | IC50 | = | 370.0 | nM | 6.43 | Evaluated against recombinant human Protein kinase C beta 2 | 8978850 |
| Protein kinase C beta type | IC50 | = | 960.0 | nM | 6.02 | Evaluated against recombinant human Protein kinase C beta 1 | 8978850 |
| Protein kinase C gamma type | IC50 | = | 1400.0 | nM | 5.85 | Evaluated against recombinant human Protein kinase C gamma | 8978850 |
| Protein kinase C alpha type | IC50 | = | 3300.0 | nM | 5.48 | Evaluated against recombinant human Protein kinase C alpha | 8978850 |
| Protein kinase C epsilon type | IC50 | = | 30000.0 | nM | 4.52 | Evaluated against recombinant human Protein kinase C epsilon | 8978850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978850 | 10.1021/jm960581w | Protein kinase C beta type | 2 |
| 8978850 | 10.1021/jm960581w | Protein kinase C alpha type | 1 |
| 8978850 | 10.1021/jm960581w | Protein kinase C gamma type | 1 |
| 8978850 | 10.1021/jm960581w | Protein kinase C delta type | 1 |
| 8978850 | 10.1021/jm960581w | Protein kinase C epsilon type | 1 |
| 8978850 | 10.1021/jm960581w | Protein kinase C eta type | 1 |
| 8978850 | 10.1021/jm960581w | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine