Compound Detail
CHEMBL4438318
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C=C1/C=C\C[C@H](C)OC(=O)c2c(O)cc(OC)cc2-c2cccc(c2)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4438318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOJCKXIBMRPYKG-ZKSXXOPZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
3.52
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.34 | 5.34 | 4530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 4530.0 | nM | 5.34 | Inhibition of human FLT3 using EAIYAAPFAKKK substrate and [gamma-33P]-ATP by rad... | 31513411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31513411 | 10.1021/acs.jmedchem.9b01025 | Vascular endothelial growth factor receptor 2 | 2 |
| 31513411 | 10.1021/acs.jmedchem.9b01025 | Vascular endothelial growth factor receptor 3 | 2 |
| 31513411 | 10.1021/acs.jmedchem.9b01025 | Receptor-type tyrosine-protein kinase FLT3 | 2 |
| 31513411 | 10.1021/acs.jmedchem.9b01025 | BaF3 | 1 |
Data from ChEMBL 36 via Core Engine