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Compound Detail

CHEMBL5596531

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COC(=O)C[C@@H]1OC(=O)c2c(O)cc(C)c3c4c(c(O)c1c23)[C@]12COC(=O)c3c(O)cc(C)c(c31)C(=O)[C@H]4[C@@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5596531
Phase Preclinical
Structure Type MOL
InChI Key CJPKYTZMTYVSLY-FPVXINPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

546.5
MW (Da)
2.46
ALogP
11
HBA
4
HBD
176.9
PSA (Ų)
0.27
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H22O11
MW 546.48
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness 1.16

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