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Compound Detail

CHEMBL551809

CURTISIAN P
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CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)CCc2ccccc2)c(O)c1-c1ccc(O)cc1

Basic Information

ChEMBL ID CHEMBL551809
Name CURTISIAN P
Phase Preclinical
Structure Type MOL
InChI Key WDUPWGDVEBJLCL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

500.5
MW (Da)
5.31
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H24O8
MW 500.50
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness 0.57

Activity Summary

IC50 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 5.19 5.19 6440.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 6440.0 nM 5.19 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 2
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