Compound Detail
CHEMBL4747082
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C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cn(C4CC4)c4ccccc34)n2)c(OC)cc1[S+]([O-])CCN(C)C
Basic Information
| ChEMBL ID | CHEMBL4747082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJUBPUJBZYHGOD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
579.1
MW (Da)
5.63
ALogP
8
HBA
2
HBD
107.4
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H292 CHEMBL614733 | IC50 | 9.81 | 9.81 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H292 | IC50 | = | 0.156 | nM | 9.81 | Antiproliferative activity against human NCI-H292 cells harboring wild-type EGFR... | 33429247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33429247 | 10.1016/j.ejmech.2020.113019 | PC-9 | 1 |
| 33429247 | 10.1016/j.ejmech.2020.113019 | NCI-H1975 | 1 |
| 33429247 | 10.1016/j.ejmech.2020.113019 | NCI-H292 | 1 |
| 33429247 | 10.1016/j.ejmech.2020.113019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine