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Compound Detail

CHEMBL375926

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

Basic Information

ChEMBL ID CHEMBL375926
Name PULVINATAL
Phase Preclinical
Structure Type MOL
InChI Key LNBDQNHIHNAAHW-SNAWJCMRSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.3
MW (Da)
2.61
ALogP
8
HBA
2
HBD
115.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H16O8
MW 360.32
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 2.24

Activity Summary

EC50 2 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 5.08 5.08 8360.0 1
Radical scavenging activity
CHEMBL613712
 EC50 4.54 4.54 28590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 8360.0 nM 5.08 Antioxidant activity assessed as ABTS radical scavenging activity after 30 mins 17511503
Radical scavenging activity EC50 = 28590.0 nM 4.54 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