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Compound Detail

CHEMBL4740930

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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](OC(C)=O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4740930
Phase Preclinical
Structure Type MOL
InChI Key QZOBONFUOPKXNI-SPTABNQFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

634.6
MW (Da)
-0.22
ALogP
15
HBA
6
HBD
224.0
PSA (Ų)
0.18
QED
3
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H34O15
MW 634.59
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness 1.87

Literature References

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

Data from ChEMBL 36 via Core Engine