Compound Detail
CHEMBL5633898
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Basic Information
| ChEMBL ID | CHEMBL5633898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDINNWICAGKAOR-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
2.05
ALogP
6
HBA
1
HBD
82.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.7 | 7.8367 | 2.0 | 3 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 6.09 | 5.655 | 820.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 12.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 50.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C theta type | IC50 | = | 2.0 | nM | 8.7 | Inhibition of PKC theta (unknown origin) in presence of ATP at Km | 38307441 |
| Protein kinase C theta type | IC50 | = | 27.0 | nM | 7.57 | Inhibition of PKC theta (unknown origin) in presence of 1 mM ATP | 38307441 |
| Protein kinase C theta type | IC50 | = | 58.0 | nM | 7.24 | Inhibition of PKC theta in TCR-stimulated human PBMC assessed as inhibition of I... | 38307441 |
| Protein kinase C alpha type | IC50 | = | 820.0 | nM | 6.09 | Inhibition of PKC alpha (unknown origin) in presence of ATP at Km | 38307441 |
| Protein kinase C alpha type | IC50 | = | 6000.0 | nM | 5.22 | 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 | Unchecked | 13 |
| 38307441 | 10.1016/j.bmcl.2024.129630 | ADMET | 6 |
| 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 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine