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Compound Detail

CHEMBL4513330

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

Basic Information

ChEMBL ID CHEMBL4513330
Phase Preclinical
Structure Type MOL
InChI Key JILLHBYNKQVMMU-CZUORRHYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
2.04
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H24O6
MW 312.36
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.24

Literature References

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

Data from ChEMBL 36 via Core Engine