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Compound Detail

CHEMBL262468

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Cc1cccc(NC(=O)Nc2ccc3c(c2)CCC2Sc4ncnc(N)c4C32)c1

Basic Information

ChEMBL ID CHEMBL262468
Phase Preclinical
Structure Type MOL
InChI Key JEYRDAZJCFJWJF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
4.56
ALogP
5
HBA
3
HBD
92.9
PSA (Ų)
0.55
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 C22H21N5OS
MW 403.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.79

Activity Summary

IC50 2 meas. best 7.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 7.44 7.44 36.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16162008 10.1021/jm050458h Vascular endothelial growth factor receptor 2 1
16162008 10.1021/jm050458h Receptor-type tyrosine-protein kinase FLT3 1

Data from ChEMBL 36 via Core Engine