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Compound Detail

CHEMBL270070

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NC(=O)Nc1ccc(-c2cccc3onc(N)c23)cc1

Basic Information

ChEMBL ID CHEMBL270070
Phase Preclinical
Structure Type MOL
InChI Key QKEZZTSUDGCSDM-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
2.57
ALogP
4
HBA
3
HBD
107.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N4O2
MW 268.28
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.00

Activity Summary

IC50 3 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.21 6.21 619.0 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 5.35 5.35 4443.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 4.9 4.9 12500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18260617 10.1021/jm701096v Vascular endothelial growth factor receptor 2 1
18260617 10.1021/jm701096v Mast/stem cell growth factor receptor Kit 1
18260617 10.1021/jm701096v Receptor-type tyrosine-protein kinase FLT3 1

Data from ChEMBL 36 via Core Engine