Compound Detail
CHEMBL1651450
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CN(C)c1ccc(-c2nc3c(N4CCN(CC(=O)Nc5ccccc5)CC4)c(Br)cnc3[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL1651450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQYNZSUEBKJXEL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
534.5
MW (Da)
4.21
ALogP
6
HBA
2
HBD
80.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 6.56 | 6.56 | 277.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 277.0 | nM | 6.56 | Inhibition of Aurora A | 21093113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21093113 | 10.1016/j.ejmech.2010.10.017 | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine