Compound Detail
CHEMBL5633746
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
CC1CCCOc2nc(c(-c3ccn[nH]3)cc2C(N)=O)-n2c(=O)[nH]c3nccc(c32)O1
Basic Information
| ChEMBL ID | CHEMBL5633746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCEMUDBYUNXBGE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
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 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C theta type CHEMBL3920 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C theta type | IC50 | = | 47.0 | nM | 7.33 | Inhibition of PKC theta (unknown origin) in presence of ATP at Km | 38307441 |
| Protein kinase C alpha type | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of PKC alpha (unknown origin) in presence of ATP at Km | 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 |
Data from ChEMBL 36 via Core Engine