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Compound Detail

CHEMBL2286104

FLURIDONE
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O=c1c(-c2ccccc2)c[nH]cc1-c1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2286104
Name FLURIDONE
Phase Preclinical
Structure Type MOL
InChI Key IBMFYIVDYOTODR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.3
MW (Da)
4.73
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.73
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 C18H12F3NO
MW 315.29
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.59

Activity Summary

IC50 2 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotiana tabacum
CHEMBL613059
 IC50 7.64 6.28 23.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotiana tabacum IC50 = 23.0 nM 7.64 Inhibition of colored carotenoid formation in Nicotiana tabacum (tobacco) -
Nicotiana tabacum IC50 = 12000.0 nM 4.92 Inhibition of colored carotenoid formation in transgenic Nicotiana tabacum (toba... -

Literature References

PubMed DOI Target Context # Activities
- 10.1584/jpestics.21.473 Unchecked 5
- 10.1584/jpestics.21.473 Nicotiana tabacum 2

Data from ChEMBL 36 via Core Engine