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Compound Detail

CHEMBL206469

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O=C(c1cc2cc(F)ccc2[nH]1)c1cc2cc(OCc3ccccc3)ccc2[nH]1

Basic Information

ChEMBL ID CHEMBL206469
Phase Preclinical
Structure Type MOL
InChI Key NELMVDCGAWGQEN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
5.60
ALogP
2
HBA
2
HBD
57.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17FN2O2
MW 384.41
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2096980
IC50 5.24 5.24 5800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor IC50 = 5800.0 nM 5.24 Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts 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