Compound Detail
CHEMBL3393747
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Basic Information
| ChEMBL ID | CHEMBL3393747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIZGGLNYSWRCAR-YYADALCUSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
480.7
MW (Da)
7.44
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.10
QED
1
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C epsilon type CHEMBL3582 | Ki | 7.94 | 7.635 | 11.4 | 2 |
| Protein kinase C alpha type CHEMBL299 | Ki | 7.51 | 7.255 | 30.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C epsilon type | Ki | = | 11.4 | nM | 7.94 | Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCepsilon (u... | 25437619 |
| Protein kinase C alpha type | Ki | = | 30.8 | nM | 7.51 | Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCalpha (unk... | 25437619 |
| Protein kinase C epsilon type | Ki | = | 47.0 | nM | 7.33 | Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCepsilon (u... | 25437619 |
| Protein kinase C alpha type | Ki | = | 99.0 | nM | 7.0 | Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCalpha (unk... | 25437619 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25437619 | 10.1016/j.ejmech.2014.11.025 | Unchecked | 2 |
| 25437619 | 10.1016/j.ejmech.2014.11.025 | Protein kinase C epsilon type | 2 |
| 25437619 | 10.1016/j.ejmech.2014.11.025 | Protein kinase C alpha type | 2 |
| 25437619 | 10.1016/j.ejmech.2014.11.025 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine