Compound Detail
CHEMBL4075373
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Basic Information
| ChEMBL ID | CHEMBL4075373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSXUDEUMWQFINT-VCHYOVAHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
4.26
ALogP
6
HBA
1
HBD
77.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C epsilon type CHEMBL3582 | Ki | 7.56 | 7.56 | 27.3 | 1 |
| RAS guanyl-releasing protein 1 CHEMBL5953 | Ki | 7.5 | 7.5 | 31.3 | 1 |
| Protein kinase C alpha type CHEMBL299 | Ki | 7.14 | 7.14 | 73.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C epsilon type | Ki | = | 27.3 | nM | 7.56 | Displacement of [20-3H]phorbol 12,13-dibutyrate from PKCepsilon (unknown origin)... | 28392275 |
| RAS guanyl-releasing protein 1 | Ki | = | 31.3 | nM | 7.5 | Displacement of [20-3H]phorbol 12,13-dibutyrate from RasGRP1 (unknown origin) in... | 28392275 |
| Protein kinase C alpha type | Ki | = | 73.0 | nM | 7.14 | Displacement of [20-3H]phorbol 12,13-dibutyrate from PKCalpha (unknown origin) i... | 28392275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28392275 | 10.1016/j.bmc.2017.03.022 | Unchecked | 3 |
| 28392275 | 10.1016/j.bmc.2017.03.022 | RAS guanyl-releasing protein 1 | 1 |
| 28392275 | 10.1016/j.bmc.2017.03.022 | Protein kinase C epsilon type | 1 |
| 28392275 | 10.1016/j.bmc.2017.03.022 | Protein kinase C alpha type | 1 |
Data from ChEMBL 36 via Core Engine