Compound Detail
CHEMBL5633390
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CC1CCCOc2nc(c(-c3nnc[nH]3)cc2C(N)=O)-n2c(=O)[nH]c3nccc(c32)O1
Basic Information
| ChEMBL ID | CHEMBL5633390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLAOGTKMNBBWTL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
422.4
MW (Da)
0.93
ALogP
9
HBA
3
HBD
166.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.48 | 7.64 | 3.3 | 2 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C theta type | IC50 | = | 3.3 | nM | 8.48 | Inhibition of PKC theta (unknown origin) in presence of ATP at Km | 38307441 |
| Protein kinase C theta type | IC50 | = | 160.0 | nM | 6.8 | Inhibition of PKC theta in TCR-stimulated human PBMC assessed as inhibition of I... | 38307441 |
| Protein kinase C alpha type | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of PKC alpha (unknown origin) in presence of ATP at Km | 38307441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38307441 | 10.1016/j.bmcl.2024.129630 | Protein kinase C theta type | 3 |
| 38307441 | 10.1016/j.bmcl.2024.129630 | Protein kinase C alpha type | 2 |
Data from ChEMBL 36 via Core Engine