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Compound Detail

CHEMBL4859918

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

Basic Information

ChEMBL ID CHEMBL4859918
Phase Preclinical
Structure Type MOL
InChI Key AAEOBYLBPVUURH-SZNKJTEWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
2.85
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24O6
MW 348.40
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.64

Literature References

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

Data from ChEMBL 36 via Core Engine