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Compound Detail

CHEMBL1644932

LICOCHALCONE D
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COc1c(/C=C/C(=O)c2ccc(O)c(CC=C(C)C)c2)ccc(O)c1O

Basic Information

ChEMBL ID CHEMBL1644932
Name LICOCHALCONE D
Phase Preclinical
Structure Type MOL
InChI Key RETRVWFVEFCGOK-RMKNXTFCSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
4.22
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H22O5
MW 354.40
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.26

Activity Summary

IC50 2 meas. best 5.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
IC50 5.31 5.31 4850.0 1
NON-PROTEIN TARGET
CHEMBL3879801
IC50 4.68 4.68 21000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24316124 10.1016/j.bmcl.2013.11.044 RAW264.7 5
21123068 10.1016/j.bmcl.2010.11.016 Neuraminidase 3
28835349 10.1016/j.bmc.2017.08.018 Nuclear factor erythroid 2-related factor 2 2
21123068 10.1016/j.bmcl.2010.11.016 Sialidase 1
24316124 10.1016/j.bmcl.2013.11.044 NON-PROTEIN TARGET 1
28835349 10.1016/j.bmc.2017.08.018 HepG2 1
37659218 10.1016/j.bmc.2023.117454 Staphylococcus aureus 1
37659218 10.1016/j.bmc.2023.117454 Bacillus subtilis 1
37659218 10.1016/j.bmc.2023.117454 Micrococcus luteus 1

Data from ChEMBL 36 via Core Engine