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Compound Detail

CHEMBL208640

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Cc1cccc2[nH]c(C(=O)c3cc4cc(F)ccc4[nH]3)cc12

Basic Information

ChEMBL ID CHEMBL208640
Phase Preclinical
Structure Type MOL
InChI Key CJUIAVLIOOCWIE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
4.33
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 C18H13FN2O
MW 292.31
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.05

Activity Summary

IC50 2 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2096980
IC50 5.92 5.92 1200.0 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.58 5.58 2600.0 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