Compound Detail
CHEMBL4789795
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CS(=O)(=O)c1ccc(-c2ccc3c(Nc4cccc(NC(=O)Nc5ccc(F)cc5)c4)ncnc3c2)cc1
Basic Information
| ChEMBL ID | CHEMBL4789795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOFABKHZHRAGIU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
527.6
MW (Da)
6.23
ALogP
6
HBA
3
HBD
113.1
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 7.2 | 7.2 | 63.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 63.07 | nM | 7.2 | Inhibition of recombinant human full-length His-tagged Aurora B expressed in bac... | 32717530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32717530 | 10.1016/j.ejmech.2020.112589 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine