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Compound Detail

CHEMBL227560

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

Basic Information

ChEMBL ID CHEMBL227560
Name 4-CHLORO CHALCONE
Phase Preclinical
Structure Type MOL
InChI Key ABGIIXRNMHUKII-DHZHZOJOSA-N
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

242.7
MW (Da)
4.24
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

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H11ClO
MW 242.71
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.43

Activity Summary

IC50 8 meas. best 6.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [flavin-containing] B
CHEMBL2039
 IC50 6.02 6.02 964.0 1
Unchecked
CHEMBL612545
 IC50 5.28 5.275 5300.0 2
Entamoeba histolytica
CHEMBL612853
 IC50 5.13 5.13 7320.0 1
Trypanosoma cruzi
CHEMBL368
 IC50 4.66 4.66 21900.0 1
Cyclooxygenase
CHEMBL2095157
 IC50 4.07 4.07 85000.0 1
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL312
 IC50 4.07 4.07 85000.0 1
HepG2
CHEMBL395
 IC50 4.01 4.01 97200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amine oxidase [flavin-containing] B IC50 = 964.0 nM 6.02 Inhibition of human MAO-B using kynuramine as substrate incubated for 20 mins by... 32920430
Unchecked IC50 = 5300.0 nM 5.28 Inhibition of PMA-induce ROS/RNS generation in human neutrophils measured up to ... 33006891
Unchecked IC50 = 5400.0 nM 5.27 Inhibition of PMA-induce ROS/RNS generation in human neutrophils measured up to ... 33006891
Entamoeba histolytica IC50 = 7320.0 nM 5.13 Antiamnesic activity against Entamoeba histolytica HM1:IMSS after 72 hrs by micr... 22658085
Trypanosoma cruzi IC50 = 21900.0 nM 4.66 Growth inhibition of Trypanosoma cruzi epimastigotes 17112640
Cyclooxygenase IC50 = 85000.0 nM 4.07 Inhibition of cyclooxygenase in rat RBL1 cells -
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 85000.0 nM 4.07 Inhibition of 5-lipoxygenase in rat RBL1 cells -
HepG2 IC50 = 97200.0 nM 4.01 Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay 22658085

Literature References

PubMed DOI Target Context # Activities
28743509 10.1016/j.bmcl.2017.07.042 Cellular tumor antigen p53 8
22658085 10.1016/j.ejmech.2012.03.049 HepG2 5
20639112 10.1016/j.bmc.2010.05.033 Rattus norvegicus 4
28743509 10.1016/j.bmcl.2017.07.042 HCT-116 3
17007965 10.1016/j.ejmech.2006.08.012 Candida albicans 3
33006891 10.1021/acs.jnatprod.0c00728 Unchecked 2
18584918 10.1016/j.ejmech.2008.05.010 Staphylococcus aureus 2
20639112 10.1016/j.bmc.2010.05.033 TK-10 1
37549850 10.1016/j.bmcl.2023.129435 Cytochrome P450 3A4 1
- 10.1007/s00044-013-0745-7 Cyclooxygenase 1
- 10.1007/s00044-010-9305-6 Culex quinquefasciatus 1
- 10.1007/s00044-010-9339-9 Rattus norvegicus 1
22658085 10.1016/j.ejmech.2012.03.049 Entamoeba histolytica 1
22658085 10.1016/j.ejmech.2012.03.049 Unchecked 1
20639112 10.1016/j.bmc.2010.05.033 HT-29 1
20639112 10.1016/j.bmc.2010.05.033 MCF7 1
18584918 10.1016/j.ejmech.2008.05.010 Escherichia coli 1
17112640 10.1016/j.ejmech.2006.09.019 Trypanosoma cruzi 1
17383189 10.1016/j.bmc.2007.03.031 HT-29 1
17383189 10.1016/j.bmc.2007.03.031 MCF7 1

Data from ChEMBL 36 via Core Engine