Compound Detail
CHEMBL5199096
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COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCNCC6)c(C)c5)c4c3c2)cn1
Basic Information
| ChEMBL ID | CHEMBL5199096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIWJAUCXVBTTBI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
3.05
ALogP
8
HBA
2
HBD
101.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase RIO2 CHEMBL6000 | Kd | 8.08 | 8.08 | 8.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase RIO2 | Kd | = | 8.4 | nM | 8.08 | 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