Compound Detail
CHEMBL3237179
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3237179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEASYUIWLMGSRF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
2.53
ALogP
10
HBA
4
HBD
129.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 72.0 | nM | 7.14 | Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate p... | 24681066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24681066 | 10.1016/j.ejmech.2014.03.027 | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine