Compound Detail
CHEMBL4749438
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Basic Information
| ChEMBL ID | CHEMBL4749438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZLYWCFQUPJGPJ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
5.42
ALogP
5
HBA
3
HBD
105.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.85 | 6.3233 | 140.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 140.9 | nM | 6.85 | Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells | 32891702 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 741.1 | nM | 6.13 | Inhibition of FLT3 ITD/D835Y double mutant (unknown origin) expressed in mouse B... | 32891702 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 1023.7 | nM | 5.99 | Inhibition of FLT3 ITD/F691L double mutant (unknown origin) expressed in mouse B... | 32891702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32891702 | 10.1016/j.bmcl.2020.127532 | Receptor-type tyrosine-protein kinase FLT3 | 3 |
| 32891702 | 10.1016/j.bmcl.2020.127532 | BaF3 | 1 |
Data from ChEMBL 36 via Core Engine