Compound Detail
CHEMBL5631412
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Basic Information
| ChEMBL ID | CHEMBL5631412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYMCAIGTNRBMBV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
2.16
ALogP
7
HBA
1
HBD
94.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.12 | 8.12 | 7.6 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 7.17 | 6.67 | 68.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C theta type | IC50 | = | 7.6 | nM | 8.12 | Inhibition of PKC theta in TCR-stimulated human PBMC assessed as inhibition of I... | 38307441 |
| Protein kinase C alpha type | IC50 | = | 68.0 | nM | 7.17 | Inhibition of PKC alpha (unknown origin) in presence of ATP at Km | 38307441 |
| Protein kinase C alpha type | IC50 | = | 679.0 | nM | 6.17 | Inhibition of PKC alpha (unknown origin) in presence of 1 mM ATP | 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 | ADMET | 3 |
| 38307441 | 10.1016/j.bmcl.2024.129630 | Protein kinase C alpha type | 2 |
| 38307441 | 10.1016/j.bmcl.2024.129630 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine