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Compound Detail

CHEMBL5598554

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CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)c1c(O)cc3cc(O)cc(C)c3c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5598554
Phase Preclinical
Structure Type MOL
InChI Key MRESOSHWSCSTLC-OCDQVXHZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.4
MW (Da)
3.26
ALogP
8
HBA
3
HBD
130.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H20O8
MW 460.44
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 1.64

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