Compound Detail
CHEMBL3976213
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Basic Information
| ChEMBL ID | CHEMBL3976213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSWQYSJNHWGDPD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
2.20
ALogP
3
HBA
2
HBD
66.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in... | 27391133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
| 27391133 | 10.1021/acs.jmedchem.6b00709 | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine