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Compound Detail

CHEMBL2332850

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COc1cccc(NC(=O)Nc2ccc(Oc3ncnc4c3cnn4C)cc2)c1

Basic Information

ChEMBL ID CHEMBL2332850
Phase Preclinical
Structure Type MOL
InChI Key SFXJOPJCHZOWAT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
3.81
ALogP
7
HBA
2
HBD
103.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N6O3
MW 390.40
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.90

Activity Summary

IC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.8 5.8 1590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23362959 10.1021/jm301537p Vascular endothelial growth factor receptor 2 1
23362959 10.1021/jm301537p HeLa 1
23362959 10.1021/jm301537p Receptor-type tyrosine-protein kinase FLT3 1

Data from ChEMBL 36 via Core Engine