Compound Detail
CHEMBL4434792
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Basic Information
| ChEMBL ID | CHEMBL4434792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCVQJAVWZNQILI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.3
MW (Da)
3.94
ALogP
5
HBA
3
HBD
87.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 0.8 | nM | 9.1 | Inhibition of His6 tagged MBP fused human aurora A (123 to 390 residues) express... | 29400967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29400967 | 10.1021/acs.jmedchem.7b01788 | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine