Compound Detail
CHEMBL215495
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Basic Information
| ChEMBL ID | CHEMBL215495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQWUFPUUHVVAIM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
3.89
ALogP
8
HBA
4
HBD
128.3
PSA (Ų)
0.18
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SW-620 CHEMBL612262 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 6.01 | 6.01 | 980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SW-620 | Ki | = | 7.0 | nM | 8.15 | inhibition of histone-H3 phosphorylation following 24 hr incubation in SW620 tum... | 17373783 |
| Aurora kinase A | Ki | = | 980.0 | nM | 6.01 | Inhibition of human recombinant Aurora A | 17373783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17373783 | 10.1021/jm061335f | Aurora kinase B | 1 |
| 17373783 | 10.1021/jm061335f | Aurora kinase A | 1 |
| 17373783 | 10.1021/jm061335f | SW-620 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine