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Compound Detail

CHEMBL209823

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O=C(c1cc2cc(O)ccc2[nH]1)c1cc2c(F)cccc2[nH]1

Basic Information

ChEMBL ID CHEMBL209823
Phase Preclinical
Structure Type MOL
InChI Key PSNYTMURLBIIQI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
3.72
ALogP
2
HBA
3
HBD
68.9
PSA (Ų)
0.49
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 C17H11FN2O2
MW 294.29
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.55

Activity Summary

IC50 2 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.47 6.47 340.0 1
Platelet-derived growth factor receptor
CHEMBL2096980
IC50 6.21 6.21 620.0 1

Activity Data Samples

Top measurements by pChEMBL value

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