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Compound Detail

CHEMBL1425995

DIFLUFENICAN
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O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL1425995
Name DIFLUFENICAN
Phase Preclinical
Structure Type MOL
InChI Key WYEHFWKAOXOVJD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

394.3
MW (Da)
5.42
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.60
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H11F5N2O2
MW 394.30
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.13

Activity Summary

IC50 1 meas. best 7.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotiana tabacum
CHEMBL613059
IC50 7.42 7.42 38.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotiana tabacum IC50 = 38.0 nM 7.42 Inhibition of colored carotenoid formation in Nicotiana tabacum (tobacco) -

Literature References

PubMed DOI Target Context # Activities
22076665 10.1002/ps.2257 Amaranthus retroflexus 10
22076665 10.1002/ps.2257 Brassica rapa subsp. oleifera 10
18605735 10.1021/jf800900h Amaranthus retroflexus 6
18605735 10.1021/jf800900h Brassica rapa subsp. oleifera 6
18605735 10.1021/jf800900h Spirodela polyrhiza 2
18605735 10.1021/jf800900h Digitaria 2
18605735 10.1021/jf800900h Echinochloa crus-galli 2
- 10.1584/jpestics.21.473 Nicotiana tabacum 2
22076665 10.1002/ps.2257 Digitaria 2
22076665 10.1002/ps.2257 Echinochloa crus-galli 2
22076665 10.1002/ps.2257 Spirodela polyrhiza 2

Data from ChEMBL 36 via Core Engine