Compound Detail
CHEMBL3909328
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Basic Information
| ChEMBL ID | CHEMBL3909328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQTNOHIWMHEQIC-QXMHVHEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.4
MW (Da)
4.06
ALogP
4
HBA
4
HBD
124.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 950.0 | nM | 6.02 | Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincu... | 27573544 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27573544 | 10.1016/j.ejmech.2016.08.026 | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine