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Compound Detail

CHEMBL2269735

ACIFLUORFEN-METHYL
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COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL2269735
Name ACIFLUORFEN-METHYL
Phase Preclinical
Structure Type MOL
InChI Key AHGMXAFUHVRQAD-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

375.7
MW (Da)
4.85
ALogP
5
HBA
0
HBD
78.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9ClF3NO5
MW 375.69
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.44

Activity Summary

IC50 4 meas. best 8.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protoporphyrinogen IX oxidase
CHEMBL2366512
IC50 8.66 8.66 2.2 1
Scenedesmus acutus
CHEMBL2367199
IC50 7.63 7.33 23.4 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1584/jpestics.24.28 Scenedesmus acutus 3
11368593 10.1021/jf001393o Putative protoporphyrinogen IX oxidase 2
- 10.1584/jpestics.24.28 Protoporphyrinogen IX oxidase 1

Data from ChEMBL 36 via Core Engine