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Compound Detail

CHEMBL4846115

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COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@@H](O)C(=O)CCC[C@H](C)OC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4846115
Phase Preclinical
Structure Type MOL
InChI Key WFIUAGOQGGAREU-VWFFKLFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
1.82
ALogP
7
HBA
3
HBD
113.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H24O7
MW 364.39
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 1.85

Literature References

PubMed DOI Target Context # Activities
33544615 10.1021/acs.jnatprod.0c01344 Splenocyte 3

Data from ChEMBL 36 via Core Engine