Compound Detail
CHEMBL437222
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Basic Information
| ChEMBL ID | CHEMBL437222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCYZQBPDGMCDMY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL59451 |
| Active Moiety | CHEMBL59451 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.3
MW (Da)
1.88
ALogP
8
HBA
6
HBD
139.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.12 | 6.2 | 75.0 | 2 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 6.76 | 6.76 | 175.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 75.0 | nM | 7.12 | Inhibition of PKC | 18077363 |
| Protein kinase C epsilon type | IC50 | = | 175.0 | nM | 6.76 | Inhibition of PKCepsilon | 18077363 |
| Unchecked | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of PKA | 18077363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077363 | 10.1073/pnas.0708800104 | Unchecked | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Protein kinase C epsilon type | 1 |
Data from ChEMBL 36 via Core Engine