Compound Detail
CHEMBL4776476
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Basic Information
| ChEMBL ID | CHEMBL4776476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVVWIAXQMIMRPX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
6.83
ALogP
5
HBA
3
HBD
88.2
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 5.67 | 5.67 | 2150.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 2150.6 | nM | 5.67 | 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