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Compound Detail

CHEMBL209233

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COc1ccc2cc(C(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)[nH]c2c1

Basic Information

ChEMBL ID CHEMBL209233
Phase Preclinical
Structure Type MOL
InChI Key XCPCFSFGYSRNGG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
5.47
ALogP
3
HBA
2
HBD
67.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20N2O3
MW 396.45
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.57

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-type tyrosine-protein kinase FLT3 IC50 = 10000.0 nM 5.0 Inhibition of endogenous FLT3 in EOL1 cells 16722630

Literature References

PubMed DOI Target Context # Activities
16722630 10.1021/jm058033i Receptor-type tyrosine-protein kinase FLT3 1
16722630 10.1021/jm058033i Platelet-derived growth factor receptor 1

Data from ChEMBL 36 via Core Engine