Compound Detail
CHEMBL5192566
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
COc1ccc(-c2ccc3c(c2)c2c(nnn2-c2ccc(N4CCNCC4)c(C(F)(F)F)c2)c(=O)n3C)cn1
Basic Information
| ChEMBL ID | CHEMBL5192566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKSJMIBGQXXHNL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
535.5
MW (Da)
3.77
ALogP
9
HBA
1
HBD
90.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase RIO2 CHEMBL6000 | Kd | 7.31 | 7.31 | 49.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase RIO2 | Kd | = | 49.0 | nM | 7.31 | Binding affinity to wild-type human partial length RIOK2 (M1 to D313 residues) e... | 35584513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35584513 | 10.1021/acs.jmedchem.2c00271 | Serine/threonine-protein kinase RIO2 | 1 |
Data from ChEMBL 36 via Core Engine