Compound Detail
CHEMBL5562812
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Basic Information
| ChEMBL ID | CHEMBL5562812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMTJJBAQDWOULH-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
5.84
ALogP
6
HBA
1
HBD
60.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLM-14 CHEMBL3706570 | IC50 | 6.81 | 6.59 | 153.7 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.54 | 6.54 | 288.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 6.0 | 6.0 | 993.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLM-14 | IC50 | = | 153.7 | nM | 6.81 | Antiproliferative activity against human MOLM-14 cells assessed as inhibition of... | 38056299 |
| MOLM-14 | IC50 | = | 265.4 | nM | 6.58 | Antiproliferative activity against human MOLM-14 cells harboring FLT3-D835Y muta... | 38056299 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 288.0 | nM | 6.54 | Inhibition of FLT3 (unknown origin) by bioluminescent ADP-Glo assay | 38056299 |
| MOLM-14 | IC50 | = | 412.4 | nM | 6.38 | Antiproliferative activity against human MOLM-14 cells harboring FLT3-F691L muta... | 38056299 |
| HEK293 | IC50 | = | 993.0 | nM | 6.0 | Cytotoxicity against HEK293 cells lacking FLT3 activating mutations assessed as ... | 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