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Compound Detail

CHEMBL230558

CUDRAFLAVONE A
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CC(C)=CC1Oc2cc(O)ccc2-c2oc3cc4c(c(O)c3c(=O)c21)C=CC(C)(C)O4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230558
Name CUDRAFLAVONE A
Phase Preclinical
Structure Type MOL
InChI Key UEENYRGPBCHSLB-UHFFFAOYSA-N
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
5.46
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H22O6
MW 418.45
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 2.83

Activity Summary

IC50 3 meas. best 4.54
EC50 2 meas. best 4.87
Ki 1 meas. best 4.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 4.87 4.84 13500.0 2
Unchecked
CHEMBL612545
 IC50 4.54 4.54 29010.0 1
RAW264.7
CHEMBL612557
 IC50 4.38 4.38 42100.0 2
Unchecked
CHEMBL612545
 Ki 4.35 4.35 44370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 13500.0 nM 4.87 Neuroprotective activity in human SH-SY5Y cells assessed as reduction in oxygen ... 27420919
NON-PROTEIN TARGET EC50 = 15500.0 nM 4.81 Neuroprotective activity in human SH-SY5Y cells assessed as reduction in 6-OHDA-... 27420919
Unchecked IC50 = 29010.0 nM 4.54 Inhibition of Clostridium welchii neuraminidase 19660948
RAW264.7 IC50 = 42100.0 nM 4.38 Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assess... 16643064
RAW264.7 IC50 = 42100.0 nM 4.38 Cytotoxicity against mouse RAW264.7 cells by MTT assay 16643064
Unchecked Ki = 44370.0 nM 4.35 Noncompetitive inhibition of Clostridium welchii neuraminidase by Dixon plot 19660948

Literature References

PubMed DOI Target Context # Activities
16643064 10.1021/np0600346 RAW264.7 3
19660948 10.1016/j.bmcl.2009.07.098 Unchecked 3
27420919 10.1021/acs.jnatprod.6b00204 NON-PROTEIN TARGET 3
17608532 10.1021/np070059k Amine oxidase [flavin-containing] A 1
34546736 10.1021/acs.jnatprod.1c00578 Pseudomonas aeruginosa 1
34546736 10.1021/acs.jnatprod.1c00578 Escherichia coli 1
34546736 10.1021/acs.jnatprod.1c00578 Acinetobacter baumannii 1
34546736 10.1021/acs.jnatprod.1c00578 Klebsiella pneumoniae 1
34546736 10.1021/acs.jnatprod.1c00578 Enterococcus 1
34546736 10.1021/acs.jnatprod.1c00578 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine