Compound Detail
CHEMBL3680447
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Basic Information
| ChEMBL ID | CHEMBL3680447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUFIZMIVJDQOHA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
5.00
ALogP
6
HBA
3
HBD
113.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 10.34 | 10.34 | 0.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 9.43 | 9.43 | 0.4 | 1 |
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 0.046 | nM | 10.34 | Enzyme Assay: The Aurora assays described here are performed on two Caliper Life... | - |
| Aurora kinase A | IC50 | = | 0.37 | nM | 9.43 | Enzyme Assay: The Aurora assays described here are performed on two Caliper Life... | - |
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 35.0 | nM | 7.46 | Enzyme Assay: P70S6K inhibitor compounds are diluted and plated in 96 well plate... | - |
Data from ChEMBL 36 via Core Engine