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Compound Detail

CHEMBL2272807

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O=C1C2=C(CCCC2)C(=O)N1c1ccc(Br)cc1F

Basic Information

ChEMBL ID CHEMBL2272807
Phase Preclinical
Structure Type MOL
InChI Key FEKZFMLSOJNBHB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.1
MW (Da)
3.33
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11BrFNO2
MW 324.15
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Scenedesmus acutus
CHEMBL2367199
IC50 7.82 7.82 15.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Scenedesmus acutus IC50 = 15.14 nM 7.82 Phytotoxicity against Scenedesmus acutus assessed as inhibition of chlorophyll c... -

Literature References

PubMed DOI Target Context # Activities
- 10.1584/jpestics.20.119 Scenedesmus acutus 3

Data from ChEMBL 36 via Core Engine