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Compound Detail

CHEMBL2332863

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O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)NC1CCCCC1

Basic Information

ChEMBL ID CHEMBL2332863
Phase Preclinical
Structure Type MOL
InChI Key CQEDTVBKKZWBLM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.60
ALogP
5
HBA
3
HBD
104.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N6O2
MW 352.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.80

Activity Summary

IC50 1 meas. best 5.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.86 5.86 1371.0 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