Compound Detail
CHEMBL4585918
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
N#Cc1cnc(NCc2ccccc2OC(F)(F)F)nc1NCC12CC3CC(C1)C(NC1CCCCC1)C(C3)C2
Basic Information
| ChEMBL ID | CHEMBL4585918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKPWYYAZAUTRCQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
554.7
MW (Da)
6.39
ALogP
7
HBA
3
HBD
94.9
PSA (Ų)
0.33
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C theta type | IC50 | = | 1.9 | nM | 8.72 | Inhibition of recombinant human full length PKCtheta using biotin-labelled STK s... | 30704835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30704835 | 10.1016/j.bmc.2019.01.019 | Protein kinase C theta type | 1 |
| 30704835 | 10.1016/j.bmc.2019.01.019 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine