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Compound Detail

CHEMBL4559041

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COc1cc([C@@H](O)[C@H](O)COC(=O)CC(C)C)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4559041
Phase Preclinical
Structure Type MOL
InChI Key QXVDCTVFXFEENC-IUODEOHRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
1.38
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H22O6
MW 298.34
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.14

Literature References

PubMed DOI Target Context # Activities
30896183 10.1021/acs.jnatprod.8b00670 Trypanosoma congolense 1

Data from ChEMBL 36 via Core Engine