Compound Detail
CHEMBL5569052
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COc1cc(Nc2cccc(-c3cnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccn34)n2)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL5569052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZYNLWVPVRQLTH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
5.24
ALogP
9
HBA
1
HBD
104.0
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLM-14 CHEMBL3706570 | IC50 | 7.36 | 7.2033 | 43.8 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.02 | 7.02 | 94.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLM-14 | IC50 | = | 43.82 | nM | 7.36 | Antiproliferative activity against human MOLM-14 cells assessed as inhibition of... | 38056299 |
| MOLM-14 | IC50 | = | 43.86 | nM | 7.36 | Antiproliferative activity against human MOLM-14 cells harboring FLT3-D835Y muta... | 38056299 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 94.58 | nM | 7.02 | Inhibition of FLT3 (unknown origin) by bioluminescent ADP-Glo assay | 38056299 |
| MOLM-14 | IC50 | = | 130.1 | nM | 6.89 | Antiproliferative activity against human MOLM-14 cells harboring FLT3-F691L muta... | 38056299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38056299 | 10.1016/j.ejmech.2023.115977 | MOLM-14 | 3 |
| 38056299 | 10.1016/j.ejmech.2023.115977 | K562 | 1 |
| 38056299 | 10.1016/j.ejmech.2023.115977 | MDA-MB-231 | 1 |
| 38056299 | 10.1016/j.ejmech.2023.115977 | HEK293 | 1 |
| 38056299 | 10.1016/j.ejmech.2023.115977 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine