Compound Detail
CHEMBL3897011
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CCc1[nH]cc2c1NC1=C(C(=O)CCC1)[C@H]2c1cccc(Oc2nc3ccccc3[nH]2)c1
Basic Information
| ChEMBL ID | CHEMBL3897011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRXHKUKMMZTVRE-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
5.81
ALogP
4
HBA
3
HBD
82.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Aurora CHEMBL3430911 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 1.0 | nM | 9.0 | Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhib... | - |
| Serine/threonine-protein kinase Aurora | IC50 | = | 1.0 | nM | 9.0 | HTRF Assay: The effect of the compounds of the invention on the activity of the ... | - |
Data from ChEMBL 36 via Core Engine