Compound Detail
CHEMBL4278474
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Basic Information
| ChEMBL ID | CHEMBL4278474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGOBREMGPDLCPI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
2.47
ALogP
6
HBA
1
HBD
60.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.71
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H2228 CHEMBL1075536 | IC50 | 5.39 | 5.39 | 4110.0 | 1 |
| ALK tyrosine kinase receptor CHEMBL4247 | EC50 | 4.71 | 4.71 | 19630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H2228 | IC50 | = | 4110.0 | nM | 5.39 | Cytotoxicity against human NCI-H2228 cells harboring EML4-ALK fusion protein ass... | 30108712 |
| ALK tyrosine kinase receptor | EC50 | = | 19630.0 | nM | 4.71 | Inhibition of recombinant ALK (unknown origin) after 1 hr by fluorescence assay | 30108712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108712 | 10.1039/C7MD00305F | NCI-H2228 | 7 |
| 30108712 | 10.1039/C7MD00305F | ALK tyrosine kinase receptor | 5 |
Data from ChEMBL 36 via Core Engine