Compound Detail
CHEMBL4519741
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Basic Information
| ChEMBL ID | CHEMBL4519741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYYTZUUXIPJLRY-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
4.21
ALogP
7
HBA
3
HBD
130.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 10.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 10.42 | 8.294 | 0.0 | 5 |
| BaF3 CHEMBL614524 | IC50 | 5.5 | 5.5 | 3156.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 0.038 | nM | 10.42 | Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells | 32891702 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 1.3 | nM | 8.89 | Inhibition of human partial length FLT3 ITD mutant expressed in bacterial expres... | 32891702 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of recombinant human N-terminal GST-tagged FLT3 (564 to end residues)... | 27535613 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 108.0 | nM | 6.97 | Inhibition of FLT3 ITD/F691L double mutant (unknown origin) expressed in mouse B... | 32891702 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of FLT3 ITD/D835Y double mutant (unknown origin) expressed in mouse B... | 32891702 |
| BaF3 | IC50 | = | 3156.3 | nM | 5.5 | Cytotoxicity against mouse BaF3 cells assessed as reduction in cell viability | 32891702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27535613 | 10.1021/acs.jmedchem.6b00604 | Mus musculus | 28 |
| 27535613 | 10.1021/acs.jmedchem.6b00604 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| 32891702 | 10.1016/j.bmcl.2020.127532 | Receptor-type tyrosine-protein kinase FLT3 | 4 |
| 27535613 | 10.1021/acs.jmedchem.6b00604 | Unchecked | 2 |
| 32891702 | 10.1016/j.bmcl.2020.127532 | BaF3 | 1 |
Data from ChEMBL 36 via Core Engine