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Compound Detail

CHEMBL4104264

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CC(=O)c1c(O)c(CC=C(C)C)c(O)c(C(CC(C)C)c2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4104264
Phase Preclinical
Structure Type MOL
InChI Key PUFVTIYJMOUQOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

540.6
MW (Da)
6.52
ALogP
8
HBA
6
HBD
155.5
PSA (Ų)
0.15
QED
3
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C31H40O8
MW 540.65
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 1.10

Literature References

PubMed DOI Target Context # Activities
28240894 10.1021/acs.jnatprod.6b01008 Polyunsaturated fatty acid 5-lipoxygenase 3
28240894 10.1021/acs.jnatprod.6b01008 Neutrophil 1
28240894 10.1021/acs.jnatprod.6b01008 Prostaglandin E synthase 1

Data from ChEMBL 36 via Core Engine