Compound Detail
CHEMBL5409164
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CCN(CC)CCCOc1cc2nccc(N(C)c3ccc(NC(=O)NN4C(=O)CSC4c4c(F)cccc4F)cc3)c2cc1OC
Basic Information
| ChEMBL ID | CHEMBL5409164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZCVUQLSOXLWTL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
664.8
MW (Da)
6.71
ALogP
8
HBA
2
HBD
99.3
PSA (Ų)
0.15
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BaF3 CHEMBL614524 | IC50 | 5.66 | 5.41 | 2200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BaF3 | IC50 | = | 2200.0 | nM | 5.66 | Antiprolifertive activity against mouse BaF3 cells expressing TPR-MET assessed a... | 35763868 |
| BaF3 | IC50 | = | 6900.0 | nM | 5.16 | Antiprolifertive activity against mouse BaF3 cells expressing TPR-RON assessed a... | 35763868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35763868 | 10.1016/j.ejmech.2022.114561 | BaF3 | 2 |
| 35763868 | 10.1016/j.ejmech.2022.114561 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine