Compound Detail
CHEMBL1914610
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Basic Information
| ChEMBL ID | CHEMBL1914610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGPWUOALKSHHAY-UTLPMFLDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
7.39
ALogP
6
HBA
0
HBD
63.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C theta type CHEMBL3920 | EC50 | 5.15 | 5.15 | 7140.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | EC50 | 4.63 | 4.63 | 23380.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | EC50 | 4.6 | 4.6 | 25230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C theta type | EC50 | = | 7140.0 | nM | 5.15 | Binding affinity to PKCtheta C1B subdomain after 1 hr by fluorescence quenching ... | 21975067 |
| Protein kinase C epsilon type | EC50 | = | 23380.0 | nM | 4.63 | Binding affinity to PKCepsilon C1B subdomain after 1 hr by fluorescence quenchin... | 21975067 |
| Protein kinase C delta type | EC50 | = | 25230.0 | nM | 4.6 | Binding affinity to PKCdelta C1B subdomain after 1 hr by fluorescence quenching ... | 21975067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21975067 | 10.1016/j.bmc.2011.09.011 | Protein kinase C delta type | 1 |
| 21975067 | 10.1016/j.bmc.2011.09.011 | Protein kinase C epsilon type | 1 |
| 21975067 | 10.1016/j.bmc.2011.09.011 | Protein kinase C theta type | 1 |
Data from ChEMBL 36 via Core Engine