Compound Detail
CHEMBL5575586
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Basic Information
| ChEMBL ID | CHEMBL5575586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIKIFQZHDRYLOR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.94
ALogP
8
HBA
1
HBD
94.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLM-14 CHEMBL3706570 | IC50 | 8.5 | 8.3067 | 3.2 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLM-14 | IC50 | = | 3.16 | nM | 8.5 | Antiproliferative activity against human MOLM-14 cells harboring FLT3-D835Y muta... | 38056299 |
| MOLM-14 | IC50 | = | 4.55 | nM | 8.34 | Antiproliferative activity against human MOLM-14 cells assessed as inhibition of... | 38056299 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 7.94 | nM | 8.1 | Inhibition of FLT3 (unknown origin) by bioluminescent ADP-Glo assay | 38056299 |
| MOLM-14 | IC50 | = | 8.34 | nM | 8.08 | 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 | Receptor-type tyrosine-protein kinase FLT3 | 8 |
| 38056299 | 10.1016/j.ejmech.2023.115977 | Unchecked | 5 |
| 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 | High affinity nerve growth factor receptor | 1 |
| 38056299 | 10.1016/j.ejmech.2023.115977 | Mast/stem cell growth factor receptor Kit | 1 |
Data from ChEMBL 36 via Core Engine