Compound Detail
CHEMBL5591039
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COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Br)c(Nc2ccccc2NS(=O)(=O)C2CC2)n1
Basic Information
| ChEMBL ID | CHEMBL5591039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORFPIHZPAFLIHR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
616.6
MW (Da)
5.17
ALogP
9
HBA
3
HBD
111.7
PSA (Ų)
0.28
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BaF3 CHEMBL614524 | IC50 | 10.12 | 10.11 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BaF3 | IC50 | = | 0.075 | nM | 10.12 | Antiproliferative activity against mouse BaF3 cells harboring EGFR C797S/Del19/T... | 38908104 |
| BaF3 | IC50 | = | 0.079 | nM | 10.1 | Antiproliferative activity against mouse BaF3 cells harboring EGFR C797S/L858R/T... | 38908104 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38908104 | 10.1016/j.ejmech.2024.116590 | BaF3 | 2 |
Data from ChEMBL 36 via Core Engine