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Compound Detail

CHEMBL4799121

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COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4799121
Phase Preclinical
Structure Type MOL
InChI Key VDOXHJGTLHZETG-PAWXPGGRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

838.8
MW (Da)
-1.83
ALogP
21
HBA
8
HBD
309.3
PSA (Ų)
0.09
QED
3
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C38H46O21
MW 838.77
Aromatic Rings 3
Heavy Atoms 59
NP-Likeness 1.74

Literature References

PubMed DOI Target Context # Activities
32991171 10.1021/acs.jnatprod.0c00756 HT-22 1

Data from ChEMBL 36 via Core Engine