Compound Detail
CHEMBL4532807
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
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCF)CC1
Basic Information
| ChEMBL ID | CHEMBL4532807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYNZLZOXQBQWOU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
604.2
MW (Da)
7.04
ALogP
8
HBA
2
HBD
96.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H2228 CHEMBL1075536 | IC50 | 4.62 | 4.62 | 24200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H2228 | IC50 | = | 24200.0 | nM | 4.62 | Cytotoxicity in human NCI-H2228 cells harboring EML4-fused ALK variant 3 incubat... | 31425908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31425908 | 10.1016/j.ejmech.2019.111571 | NCI-H2228 | 1 |
Data from ChEMBL 36 via Core Engine