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Compound Detail

CHEMBL5596093

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COC(=O)C[C@H]1OC(=O)c2c(O)cc(C)c3c2C1=C(O)C1[C@]24COC(=O)c5c(O)cc(C)c(c52)C(=O)[C@@H]([C@@H]4OC(C)=O)[C@]31OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5596093
Phase Preclinical
Structure Type MOL
InChI Key AIYDSFQELMTKRM-VFTQDVBFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

620.6
MW (Da)
2.42
ALogP
13
HBA
3
HBD
192.2
PSA (Ų)
0.33
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C32H28O13
MW 620.56
Aromatic Rings 2
Heavy Atoms 45
NP-Likeness 1.78

Literature References

PubMed DOI Target Context # Activities
39033406 10.1021/acs.jnatprod.4c00330 B-cell line 1
39033406 10.1021/acs.jnatprod.4c00330 T-cell 1

Data from ChEMBL 36 via Core Engine