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Compound Detail

CHEMBL228355

CYATHUSAL C
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C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C=O)c1C(OC(C)C)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL228355
Name CYATHUSAL C
Phase Preclinical
Structure Type MOL
InChI Key BNFPYGWOFGPTQR-AATRIKPKSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
3.39
ALogP
8
HBA
2
HBD
115.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H20O8
MW 388.37
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 2.03

Activity Summary

EC50 2 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 5.04 5.04 9100.0 1
Radical scavenging activity
CHEMBL613712
 EC50 4.57 4.57 26640.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 9100.0 nM 5.04 Antioxidant activity assessed as ABTS radical scavenging activity after 30 mins 17511503
Radical scavenging activity EC50 = 26640.0 nM 4.57 Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins 17511503

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