Compound Detail
CHEMBL5631515
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Basic Information
| ChEMBL ID | CHEMBL5631515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKMXMSATAIWGAR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
1.78
ALogP
6
HBA
2
HBD
92.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.89 | 7.7267 | 1.3 | 3 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C theta type | IC50 | = | 1.3 | nM | 8.89 | Inhibition of PKC theta (unknown origin) in presence of ATP at Km | 38307441 |
| Protein kinase C theta type | IC50 | = | 10.0 | nM | 8.0 | Inhibition of PKC theta (unknown origin) in presence of 1 mM ATP | 38307441 |
| Protein kinase C alpha type | IC50 | = | 320.0 | nM | 6.5 | Inhibition of PKC alpha (unknown origin) in presence of ATP at Km | 38307441 |
| Protein kinase C theta type | IC50 | = | 510.0 | nM | 6.29 | Inhibition of PKC theta in TCR-stimulated human PBMC assessed as inhibition of I... | 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 |
| 38307441 | 10.1016/j.bmcl.2024.129630 | ADMET | 2 |
| 38307441 | 10.1016/j.bmcl.2024.129630 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine