Compound Detail
CHEMBL3680552
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Basic Information
| ChEMBL ID | CHEMBL3680552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHDWVUBCEIVHFK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
3.35
ALogP
7
HBA
3
HBD
129.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 10.22 | 10.22 | 0.1 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 9.66 | 9.66 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 0.06 | nM | 10.22 | Enzyme Assay: The Aurora assays described here are performed on two Caliper Life... | - |
| Aurora kinase A | IC50 | = | 0.22 | nM | 9.66 | Enzyme Assay: The Aurora assays described here are performed on two Caliper Life... | - |
Data from ChEMBL 36 via Core Engine