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Compound Detail

CHEMBL2234233

4-FLUORO CHALCONE
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O=C(/C=C/c1ccc(F)cc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2234233
Name 4-FLUORO CHALCONE
Phase Preclinical
Structure Type MOL
InChI Key NYSCQZARWVHQBE-DHZHZOJOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

226.2
MW (Da)
3.72
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11FO
MW 226.25
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.56

Activity Summary

IC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
A549
CHEMBL392
 IC50 5.07 5.07 8580.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
A549 IC50 = 8580.0 nM 5.07 Antiproliferative activity against human A549 cells assessed as cell growth inhi... 37666364

Literature References

PubMed DOI Target Context # Activities
28743509 10.1016/j.bmcl.2017.07.042 HCT-116 3
37666364 10.1016/j.bmcl.2023.129467 A549 2
28159411 10.1016/j.bmcl.2017.01.061 RAW264.7 2
- 10.1007/s00044-013-0564-x PBMC 2
23229055 10.1016/j.ejmech.2012.10.038 Bacillus thuringiensis 1
37549850 10.1016/j.bmcl.2023.129435 Cytochrome P450 3A4 1
37666364 10.1016/j.bmcl.2023.129467 PANC-1 1
37666364 10.1016/j.bmcl.2023.129467 MCF7 1
28743509 10.1016/j.bmcl.2017.07.042 CAL-51 1
26204510 10.1016/j.ejmech.2015.06.029 NON-PROTEIN TARGET 1
- 10.1007/s00044-013-0564-x Whole blood 1
- 10.1007/s00044-010-9339-9 Rattus norvegicus 1
23229055 10.1016/j.ejmech.2012.10.038 Bacillus pumilus 1
23229055 10.1016/j.ejmech.2012.10.038 Klebsiella pneumoniae 1
23229055 10.1016/j.ejmech.2012.10.038 Staphylococcus aureus 1
23229055 10.1016/j.ejmech.2012.10.038 Pseudomonas aeruginosa 1
23229055 10.1016/j.ejmech.2012.10.038 Radical scavenging activity 1
23229055 10.1016/j.ejmech.2012.10.038 Athelia rolfsii 1
23229055 10.1016/j.ejmech.2012.10.038 Rhizoctonia solani 1
23229055 10.1016/j.ejmech.2012.10.038 Dickeya chrysanthemi 1

Data from ChEMBL 36 via Core Engine