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Compound Detail

CHEMBL228300

CYATHUSAL B
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C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C=O)c1C(O)O2

Basic Information

ChEMBL ID CHEMBL228300
Name CYATHUSAL B
Phase Preclinical
Structure Type MOL
InChI Key YLBKRHCXWXNKBF-ONEGZZNKSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.3
MW (Da)
1.96
ALogP
8
HBA
3
HBD
126.4
PSA (Ų)
0.57
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 C17H14O8
MW 346.29
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 2.28

Activity Summary

EC50 2 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
EC50 4.96 4.96 11060.0 1
Radical scavenging activity
CHEMBL613712
EC50 4.34 4.34 46010.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17511503 10.1021/np060637h Radical scavenging activity 1
17511503 10.1021/np060637h NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine