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Compound Detail

CHEMBL538189

CURTISIAN E
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CC(=O)Oc1c(OC(=O)C[C@@H](C)O)c(-c2ccc(O)cc2)c(OC(=O)CCc2ccccc2)c(OC(=O)C[C@@H](C)O)c1-c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL538189
Name CURTISIAN E
Phase Preclinical
Structure Type MOL
InChI Key ZSZFXMPJLHYIGN-FGZHOGPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

672.7
MW (Da)
5.25
ALogP
12
HBA
4
HBD
186.1
PSA (Ų)
0.11
QED
3
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C37H36O12
MW 672.68
Aromatic Rings 4
Heavy Atoms 49
NP-Likeness 0.50

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