Compound Detail
CHEMBL3680508
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Basic Information
| ChEMBL ID | CHEMBL3680508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNBMLCRFYZAAAX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
455.4
MW (Da)
3.34
ALogP
6
HBA
4
HBD
138.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 10.35 | 10.35 | 0.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 0.045 | nM | 10.35 | Enzyme Assay: The Aurora assays described here are performed on two Caliper Life... | - |
| Aurora kinase A | IC50 | = | 0.57 | nM | 9.24 | Enzyme Assay: The Aurora assays described here are performed on two Caliper Life... | - |
| Ribosomal protein S6 kinase beta-1 | IC50 | = | 72.0 | nM | 7.14 | Enzyme Assay: P70S6K inhibitor compounds are diluted and plated in 96 well plate... | - |
Data from ChEMBL 36 via Core Engine