Compound Detail
CHEMBL4443279
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Basic Information
| ChEMBL ID | CHEMBL4443279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLMODLUUZVLTGD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
383.8
MW (Da)
3.99
ALogP
7
HBA
2
HBD
101.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 10.92 | 10.92 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 0.012 | nM | 10.92 | Inhibition of Aurora A (unknown origin) | 31200236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31200236 | 10.1016/j.ejmech.2019.05.071 | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine