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Compound Detail

CHEMBL409839

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Nc1nc(N)c2c(n1)NCCC(c1ccc(NC(=O)Nc3ccccc3)cc1)=N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL409839
Phase Preclinical
Structure Type MOL
InChI Key DOKLITIJDLLPJM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
3.22
ALogP
7
HBA
5
HBD
143.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N8O
MW 388.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 IC50 5.54 5.54 2858.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-type tyrosine-protein kinase FLT3 IC50 = 2858.0 nM 5.54 Inhibition of Flt3 18362070

Literature References

PubMed DOI Target Context # Activities
18362070 10.1016/j.bmcl.2008.03.021 Vascular endothelial growth factor receptor 2 2
18362070 10.1016/j.bmcl.2008.03.021 Receptor-type tyrosine-protein kinase FLT3 1
18362070 10.1016/j.bmcl.2008.03.021 Mast/stem cell growth factor receptor Kit 1

Data from ChEMBL 36 via Core Engine