Compound Detail
CHEMBL5286410
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COc1cc2nccc(Oc3ccc(Nc4nn(C)cc4C(=O)N4CCCC5CCCCC54)cc3)c2cc1C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5286410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTWOTIDBMQUKBO-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
554.6
MW (Da)
5.41
ALogP
8
HBA
2
HBD
124.6
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BaF3 CHEMBL614524 | IC50 | 6.04 | 5.624 | 903.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BaF3 | IC50 | = | 903.0 | nM | 6.04 | Antiproliferative activity against mouse BaF3 cells expressing rearranged during... | 36308779 |
| BaF3 | IC50 | = | 1696.0 | nM | 5.77 | Antiproliferative activity against mouse BaF3 cells expressing rearranged during... | 36308779 |
| BaF3 | IC50 | = | 2980.0 | nM | 5.53 | Antiproliferative activity against mouse BaF3 cells expressing wildtype rearrang... | 36308779 |
| BaF3 | IC50 | = | 3774.0 | nM | 5.42 | Antiproliferative activity against mouse BaF3 cells expressing rearranged during... | 36308779 |
| BaF3 | IC50 | = | 4328.0 | nM | 5.36 | Antiproliferative activity against mouse BaF3 cells incubated for 74 to 76 hrs b... | 36308779 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36308779 | 10.1016/j.ejmech.2022.114862 | BaF3 | 5 |
| 36308779 | 10.1016/j.ejmech.2022.114862 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
Data from ChEMBL 36 via Core Engine