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Compound Detail

CHEMBL209042

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O=C(c1cc2ccccc2[nH]1)c1cc2cc(F)ccc2[nH]1

Basic Information

ChEMBL ID CHEMBL209042
Phase Preclinical
Structure Type MOL
InChI Key HXWDONFZGUZRTN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
4.02
ALogP
1
HBA
2
HBD
48.6
PSA (Ų)
0.53
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 C17H11FN2O
MW 278.29
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -0.95

Activity Summary

IC50 2 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2096980
IC50 6.12 6.12 760.0 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.64 5.64 2300.0 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