Compound Detail
CHEMBL5596051
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 | CHEMBL5596051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCMCZJABWMPJSQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
464.0
MW (Da)
3.50
ALogP
8
HBA
1
HBD
82.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.73 | 8.73 | 1.9 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 7.41 | 7.41 | 39.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 1.88 | nM | 8.73 | Inhibition of ALK (unknown origin) | 38733884 |
| NCI-H1975 | IC50 | = | 39.2 | nM | 7.41 | Antiproliferative activity against human NCI-H1975 cells assessed as reduction i... | 38733884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38733884 | 10.1016/j.ejmech.2024.116477 | ALK tyrosine kinase receptor | 1 |
| 38733884 | 10.1016/j.ejmech.2024.116477 | A-431 | 1 |
| 38733884 | 10.1016/j.ejmech.2024.116477 | NCI-H1975 | 1 |
Data from ChEMBL 36 via Core Engine