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Compound Detail

CHEMBL563012

CURTISIAN O
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CCCC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(C)=O)c(O)c1-c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL563012
Name CURTISIAN O
Phase Preclinical
Structure Type MOL
InChI Key BSJOLHMOYJHLCD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

438.4
MW (Da)
4.47
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.25
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H22O8
MW 438.43
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.75

Activity Summary

IC50 1 meas. best 5.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.15 5.15 7110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 7110.0 nM 5.15 Antioxidant activity assessed as ABTS radical scavenging activity after 6 mins b... 19450986

Literature References

PubMed DOI Target Context # Activities
19450986 10.1016/j.bmc.2009.04.064 NON-PROTEIN TARGET 3
19450986 10.1016/j.bmc.2009.04.064 Nucleic Acid 1
19450986 10.1016/j.bmc.2009.04.064 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine