Compound Detail
CHEMBL2170436
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Basic Information
| ChEMBL ID | CHEMBL2170436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJBQKKJYWPPLNC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.8
MW (Da)
4.24
ALogP
5
HBA
3
HBD
87.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 8.48 | 8.48 | 3.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 3.3 | nM | 8.48 | Inhibition of Aurora A kinase expressed in Escherichia coli using LRRASLG as sub... | 22803810 |
| Aurora kinase A | IC50 | = | 3.3 | nM | 8.48 | In Vitro Aurora A Activity Assay (DiscoverX): Reactions were carried out at room... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22803810 | 10.1021/jm300334d | No relevant target | 1 |
| 22803810 | 10.1021/jm300334d | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine