Compound Detail
CHEMBL5632287
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CC1CCCOc2ccnc3[nH]c(=O)n(c23)-c2nc(c(C(N)=O)cc2-c2ncc[nH]2)O1
Basic Information
| ChEMBL ID | CHEMBL5632287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTLCUINLPKLTDS-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.4
MW (Da)
1.54
ALogP
8
HBA
3
HBD
153.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.92 | 8.37 | 1.2 | 2 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 6.57 | 6.115 | 270.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C theta type | IC50 | = | 1.2 | nM | 8.92 | Inhibition of PKC theta (unknown origin) in presence of 1 mM ATP | 38307441 |
| Protein kinase C theta type | IC50 | = | 15.0 | nM | 7.82 | Inhibition of PKC theta in TCR-stimulated human PBMC assessed as inhibition of I... | 38307441 |
| Protein kinase C alpha type | IC50 | = | 270.0 | nM | 6.57 | Inhibition of PKC alpha (unknown origin) in presence of ATP at Km | 38307441 |
| Protein kinase C alpha type | IC50 | = | 2200.0 | nM | 5.66 | 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 | Protein kinase C alpha type | 2 |
| 38307441 | 10.1016/j.bmcl.2024.129630 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine