Compound Detail
CHEMBL2046726
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Basic Information
| ChEMBL ID | CHEMBL2046726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSZSIKHVAVGOPE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
2.65
ALogP
8
HBA
0
HBD
70.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human FLT3 | 22452518 |
| MV4-11 | IC50 | = | 1200.0 | nM | 5.92 | Cytotoxicity against FLT3-dependent human MV4-11 cells after 72 hrs by MTT assay | 22452518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22452518 | 10.1021/jm300042x | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 22452518 | 10.1021/jm300042x | MV4-11 | 1 |
| 22452518 | 10.1021/jm300042x | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine