Compound Detail
CHEMBL3822973
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Basic Information
| ChEMBL ID | CHEMBL3822973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUVXJGVUKPHRAQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.9
MW (Da)
4.81
ALogP
7
HBA
2
HBD
93.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.46 | 5.57 | 349.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 2.1 | nM | 8.68 | Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]AT... | 27144831 |
| NON-PROTEIN TARGET | IC50 | = | 349.0 | nM | 6.46 | Antiproliferative activity against human ALK-positive KARPAS299 cells assessed a... | 27144831 |
| NON-PROTEIN TARGET | IC50 | = | 20824.0 | nM | 4.68 | Antiproliferative activity against human ALK-negative U937 cells assessed as red... | 27144831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27144831 | 10.1021/acs.jmedchem.6b00306 | NON-PROTEIN TARGET | 2 |
| 27144831 | 10.1021/acs.jmedchem.6b00306 | Insulin receptor | 1 |
| 27144831 | 10.1021/acs.jmedchem.6b00306 | Insulin-like growth factor 1 receptor | 1 |
| 27144831 | 10.1021/acs.jmedchem.6b00306 | ALK tyrosine kinase receptor | 1 |
Data from ChEMBL 36 via Core Engine