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Quick search ChEMBL 36
Compound Detail

CHEMBL506929

LICOFLAVANONE A
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CC(C)=CCc1cc2c(=O)cc(-c3ccc(O)cc3)oc2cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL506929
Name LICOFLAVANONE A
Phase Preclinical
Structure Type MOL
InChI Key HJGURBGBPIKRER-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
4.38
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.70
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 C20H18O4
MW 322.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 1.48

Activity Summary

IC50 1 meas. best 4.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein phosphatase non-receptor type 1
CHEMBL335
 IC50 4.26 4.26 54500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein phosphatase non-receptor type 1 IC50 = 54500.0 nM 4.26 Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after... 20724155

Literature References

PubMed DOI Target Context # Activities
29224994 10.1016/j.bmc.2017.11.046 Mus musculus 6
20022509 10.1016/j.bmc.2009.11.027 Peroxisome proliferator-activated receptor gamma 1
20724155 10.1016/j.bmcl.2010.07.110 Tyrosine-protein phosphatase non-receptor type 1 1
26841168 10.1021/acs.jnatprod.5b00877 Tyrosine-protein phosphatase non-receptor type 1 1
28522265 10.1016/j.bmc.2017.05.009 MCF7 1
28522265 10.1016/j.bmc.2017.05.009 SW480 1
28522265 10.1016/j.bmc.2017.05.009 HepG2 1
28522265 10.1016/j.bmc.2017.05.009 RAW264.7 1
28522265 10.1016/j.bmc.2017.05.009 Unchecked 1
28522265 10.1016/j.bmc.2017.05.009 Tyrosine-protein phosphatase non-receptor type 1 1
28522265 10.1016/j.bmc.2017.05.009 Mushroom tyrosinase 1
28835349 10.1016/j.bmc.2017.08.018 Nuclear factor erythroid 2-related factor 2 1

Data from ChEMBL 36 via Core Engine