Compound Detail
CHEMBL1082597
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Basic Information
| ChEMBL ID | CHEMBL1082597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNMBJHAAEKLSFS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
482.4
MW (Da)
3.46
ALogP
7
HBA
2
HBD
100.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human recombinant Aurora A expressed in baculovirus system | 20565112 |
| Aurora kinase A | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Aurora A | 21093113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20565112 | 10.1021/jm100262j | Aurora kinase A | 1 |
| 20565112 | 10.1021/jm100262j | HCT-116 | 1 |
| 20565112 | 10.1021/jm100262j | ADMET | 1 |
| 21093113 | 10.1016/j.ejmech.2010.10.017 | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine