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Compound Detail

CHEMBL1871400

OXYFLUORFEN
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CCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1871400
Name OXYFLUORFEN
Phase Preclinical
Structure Type MOL
InChI Key OQMBBFQZGJFLBU-UHFFFAOYSA-N
3
Targets
15
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names

Molecular Properties

361.7
MW (Da)
5.46
ALogP
4
HBA
0
HBD
61.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11ClF3NO4
MW 361.70
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.62

Activity Summary

IC50 15 meas. best 8.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protoporphyrinogen IX oxidase
CHEMBL2366512
 IC50 8.73 8.31 1.9 3
Scenedesmus acutus
CHEMBL2367199
 IC50 8.15 7.6655 7.1 11
Echinochloa esculenta
CHEMBL2367301
 IC50 5.76 5.76 1737.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protoporphyrinogen IX oxidase IC50 = 1.862 nM 8.73 Inhibition of Protoporphyrinogen IX oxidase in Zea mays (maize) seedlings assess... -
Scenedesmus acutus IC50 = 7.079 nM 8.15 Phytotoxic activity against Scenedesmus acutus assessed as decrease in chlorophy... -
Scenedesmus acutus IC50 = 7.079 nM 8.15 Phytotoxicity against Scenedesmus acutus assessed as reduction in chlorophyll co... -
Protoporphyrinogen IX oxidase IC50 = 7.943 nM 8.1 Inhibition of protoporphyrinogen IX oxidase in Zea mays cv. Anjou (maize) seedli... -
Protoporphyrinogen IX oxidase IC50 = 7.943 nM 8.1 Inhibition of Protoporphyrinogen IX oxidase in Zea mays cv. Anjou (maize) seedli... -
Scenedesmus acutus IC50 = 7.943 nM 8.1 Phytotoxic activity against Scenedesmus acutus assessed as inhibition of caroten... -
Scenedesmus acutus IC50 = 10.0 nM 8.0 Growth inhibition of Scenedesmus acutus assessed as reduction in packed cell vol... -
Scenedesmus acutus IC50 = 20.89 nM 7.68 Phytotoxic activity against Scenedesmus acutus assessed as ethane formation meas... -
Scenedesmus acutus IC50 = 21.38 nM 7.67 Phytotoxicity against Scenedesmus acutus assessed as reduction in chlorophyll co... -
Scenedesmus acutus IC50 = 30.9 nM 7.51 Growth inhibition of Scenedesmus acutus assessed as reduction in packed cell vol... -
Scenedesmus acutus IC50 = 39.81 nM 7.4 Phytotoxicity against Scenedesmus acutus assessed as inhibition of chlorophyll c... -
Scenedesmus acutus IC50 = 41.69 nM 7.38 Peroxidizing phytotoxicity against Scenedesmus acutus assessed as ethane product... -
Scenedesmus acutus IC50 = 52.48 nM 7.28 Phytotoxic activity against Scenedesmus acutus assessed as growth inhibition mea... -
Scenedesmus acutus IC50 = 100.0 nM 7.0 Peroxidizing phytotoxicity against Scenedesmus acutus assessed as ethane product... -
Echinochloa esculenta IC50 = 1737.8 nM 5.76 Growth inhibition of Echinochloa esculenta assessed as reduction of root growth -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/j.cropro.2006.04.025 Prosopis farcta 8
- 10.1584/jpestics.20.137 Scenedesmus acutus 5
- 10.1584/jpestics.22.309 Scenedesmus acutus 4
- 10.1584/jpestics.27.272 Scenedesmus acutus 4
- 10.1016/j.cropro.2005.09.008 Chenopodiastrum murale 4
- 10.1016/j.cropro.2005.09.008 Malva sylvestris 4
- 10.1016/j.cropro.2005.09.008 Cyperus rotundus 4
- 10.1016/j.cropro.2008.08.012 Erigeron canadensis 3
- 10.1584/jpestics.20.119 Scenedesmus acutus 3
- 10.1584/jpestics.20.41 Scenedesmus acutus 3
- 10.1584/jpestics.20.41 Protoporphyrinogen IX oxidase 2
- 10.1016/j.cropro.2005.09.008 Allium cepa 2
- 10.1584/jpestics.20.137 Protoporphyrinogen IX oxidase 2
- 10.1584/jpestics.24.1 Echinochloa oryzicola 1
- 10.1584/jpestics.20.41 Echinochloa esculenta 1
- 10.1584/jpestics.27.9 No relevant target 1
- 10.1584/jpestics.27.272 Protoporphyrinogen IX oxidase 1
- 10.1584/jpestics.24.7 No relevant target 1
- 10.1016/j.cropro.2008.08.012 Gossypium hirsutum 1

Data from ChEMBL 36 via Core Engine