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Compound Detail

CHEMBL1940259

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COc1cccc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1

Basic Information

ChEMBL ID CHEMBL1940259
Phase Preclinical
Structure Type MOL
InChI Key BFZLDRFGXXMKES-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
4.63
ALogP
7
HBA
1
HBD
91.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N3O5
MW 445.48
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.20

Activity Summary

IC50 4 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 9.05 9.05 0.9 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 8.15 8.15 7.0 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
IC50 8.1 8.1 8.0 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22153662 10.1016/j.bmcl.2011.11.019 Platelet-derived growth factor receptor beta 1
22153662 10.1016/j.bmcl.2011.11.019 Vascular endothelial growth factor receptor 3 1
22153662 10.1016/j.bmcl.2011.11.019 Macrophage colony-stimulating factor 1 receptor 1
22153662 10.1016/j.bmcl.2011.11.019 Receptor-type tyrosine-protein kinase FLT3 1
22153662 10.1016/j.bmcl.2011.11.019 Platelet-derived growth factor receptor alpha 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine