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Compound Detail

CHEMBL4086089

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CC(=O)c1c(O)c(CC=C(C)C)c(O)c(Cc2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4086089
Phase Preclinical
Structure Type MOL
InChI Key MATSRIRPRLJLJM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.6
MW (Da)
4.93
ALogP
8
HBA
6
HBD
155.5
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32O8
MW 484.55
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 1.03

Literature References

PubMed DOI Target Context # Activities
27228055 10.1021/acs.jnatprod.6b00347 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine