Compound Detail
CHEMBL5631838
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5631838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTRUTBCNJSOKHT-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
1.15
ALogP
7
HBA
2
HBD
125.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C theta type CHEMBL3920 | IC50 | 9.05 | 8.17 | 0.9 | 3 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 6.11 | 5.65 | 770.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 19.6 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 53.0 | % | Rattus norvegicus |
| T1/2 | 2.2 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C theta type | IC50 | = | 0.9 | nM | 9.05 | Inhibition of PKC theta (unknown origin) in presence of ATP at Km | 38307441 |
| Protein kinase C theta type | IC50 | = | 12.0 | nM | 7.92 | Inhibition of PKC theta (unknown origin) in presence of 1 mM ATP | 38307441 |
| Protein kinase C theta type | IC50 | = | 29.0 | nM | 7.54 | Inhibition of PKC theta in TCR-stimulated human PBMC assessed as inhibition of I... | 38307441 |
| Protein kinase C alpha type | IC50 | = | 770.0 | nM | 6.11 | Inhibition of PKC alpha (unknown origin) in presence of ATP at Km | 38307441 |
| Protein kinase C alpha type | IC50 | = | 6500.0 | nM | 5.19 | 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 | 5 |
| 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