Compound Detail
CHEMBL2046699
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Basic Information
| ChEMBL ID | CHEMBL2046699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAIMQTFKEXIARK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
3.25
ALogP
7
HBA
0
HBD
57.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.15 | 8.15 | 7.0 | 2 |
| MV4-11 CHEMBL613835 | IC50 | 5.94 | 5.94 | 1140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human FLT3 | 22452518 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human FLT3 using EAIYAAPFAKKK as substrate after 40 mins by scinti... | 26881908 |
| MV4-11 | IC50 | = | 1140.0 | nM | 5.94 | 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 |
| 26881908 | 10.1021/acs.jmedchem.5b01849 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine