Compound Detail
CHEMBL5408747
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CCN(CC)CCCOc1cc2nc(N)cc(Oc3ccc(NC(=O)NN4C(=O)CSC4c4c(F)cccc4F)cc3)c2cc1OC
Basic Information
| ChEMBL ID | CHEMBL5408747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWMUVBXWRZYNMA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
666.8
MW (Da)
6.32
ALogP
9
HBA
3
HBD
131.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BaF3 CHEMBL614524 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BaF3 | IC50 | = | 3300.0 | nM | 5.48 | Antiprolifertive activity against mouse BaF3 cells expressing TPR-MET assessed a... | 35763868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35763868 | 10.1016/j.ejmech.2022.114561 | BaF3 | 2 |
Data from ChEMBL 36 via Core Engine