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Compound Detail

CHEMBL4089474

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COc1cc(O)c(C(C)=O)c(O)c1CCC(C)(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4089474
Phase Preclinical
Structure Type MOL
InChI Key XIQIWZHKDXTCHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
2.01
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20O5
MW 268.31
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.74

Literature References

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

Data from ChEMBL 36 via Core Engine