Compound Detail
CHEMBL3958960
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Basic Information
| ChEMBL ID | CHEMBL3958960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJCIBGLXXNCKLT-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.3
MW (Da)
4.70
ALogP
6
HBA
3
HBD
96.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.55
Kd 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 7.55 | 7.55 | 28.0 | 3 |
| Aurora kinase A CHEMBL4722 | Kd | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 28.0 | nM | 7.55 | In Vitro Aurora A Activity Assay (DiscoverX): Reactions were carried out at room... | - |
| Aurora kinase A | IC50 | = | 28.0 | nM | 7.55 | Protein Crystallography Inhibitory Activity Assay: Aurora A was exchanged into 5... | - |
| Aurora kinase A | IC50 | = | 28.0 | nM | 7.55 | Isothermal titration calorimetry (ITC): The binding of inhibitors to Aurora A ki... | - |
| Aurora kinase A | Kd | = | 40.0 | nM | 7.4 | Isothermal titration calorimetry (ITC): The binding of inhibitors to Aurora A ki... | - |
Data from ChEMBL 36 via Core Engine