Compound Detail
CHEMBL5082243
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 | CHEMBL5082243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YICDYXUSGXQKLK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
513.5
MW (Da)
6.49
ALogP
5
HBA
3
HBD
88.2
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.57 | 7.57 | 26.7 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 7.2 | 7.2 | 63.2 | 1 |
| KM12 CHEMBL614709 | IC50 | 7.15 | 7.15 | 70.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 26.7 | nM | 7.57 | Inhibition of GST-tagged TRKA (G443 to G796 residues) (unknown origin) expressed... | 34303872 |
| Aurora kinase A | IC50 | = | 63.2 | nM | 7.2 | Inhibition of GST-tagged AURA Ser123 to 401 residues) (unknown origin) expressed... | 34303872 |
| KM12 | IC50 | = | 70.2 | nM | 7.15 | Antiproliferative activity against human KM12 cells assessed as reduction in cel... | 34303872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34303872 | 10.1016/j.ejmech.2021.113673 | High affinity nerve growth factor receptor | 3 |
| 34303872 | 10.1016/j.ejmech.2021.113673 | Aurora kinase A | 1 |
| 34303872 | 10.1016/j.ejmech.2021.113673 | Aurora kinase B | 1 |
| 34303872 | 10.1016/j.ejmech.2021.113673 | KM12 | 1 |
Data from ChEMBL 36 via Core Engine