Compound Detail
CHEMBL5596227
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Basic Information
| ChEMBL ID | CHEMBL5596227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAHIYUNFMZWRQZ-SECBINFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.3
MW (Da)
3.60
ALogP
7
HBA
2
HBD
112.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 40.0 | nM | 7.4 | Inhibition of c-MET (unknown origin) | 38733884 |
| ALK tyrosine kinase receptor | IC50 | = | 60.0 | nM | 7.22 | Inhibition of ALK (unknown origin) | 38733884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38733884 | 10.1016/j.ejmech.2024.116477 | Hepatocyte growth factor receptor | 1 |
| 38733884 | 10.1016/j.ejmech.2024.116477 | ALK tyrosine kinase receptor | 1 |
Data from ChEMBL 36 via Core Engine