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Compound Detail

CHEMBL5596326

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Cc1cc(O)c2c3c1C(=O)[C@@H]1c4c(c5oc(=O)ccc5c5cc(O)cc(C)c45)[C@@]3(COC2=O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5596326
Phase Preclinical
Structure Type MOL
InChI Key JVBIHIYRHWJLFP-OICBGKIFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

470.4
MW (Da)
3.09
ALogP
8
HBA
3
HBD
134.3
PSA (Ų)
0.20
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H18O8
MW 470.43
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness 1.44

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