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Compound Detail

CHEMBL395246

CUDRATRICUSXANTHONE J
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CC(C)=CCc1c(O)c(O)cc2oc3c4c(cc(O)c3c(=O)c12)OC(C)C4(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL395246
Name CUDRATRICUSXANTHONE J
Phase Preclinical
Structure Type MOL
InChI Key GIEMQAXHAKGAAH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
4.63
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H24O6
MW 396.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 2.79

Activity Summary

EC50 1 meas. best 5.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 5.09 5.09 8100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 8100.0 nM 5.09 Neuroprotective activity in human SH-SY5Y cells assessed as reduction in 1-methy... 27420919

Literature References

PubMed DOI Target Context # Activities
27420919 10.1021/acs.jnatprod.6b00204 NON-PROTEIN TARGET 2
17608532 10.1021/np070059k Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine