Compound Detail
CHEMBL4743395
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Basic Information
| ChEMBL ID | CHEMBL4743395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNZOWTZPISMIQT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
3.35
ALogP
6
HBA
1
HBD
77.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 5.6 | 5.6 | 2503.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 2503.0 | nM | 5.6 | Inhibition of N-terminal GST tagged wild-type human ALK cytoplasmic domain (1058... | 33185101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33185101 | 10.1021/acs.jmedchem.0c01550 | ALK tyrosine kinase receptor | 1 |
Data from ChEMBL 36 via Core Engine