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Compound Detail

CHEMBL5420251

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COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5420251
Phase Preclinical
Structure Type MOL
InChI Key VJJPUSNTGOMMGY-QIWJEKFPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

588.6
MW (Da)
1.34
ALogP
13
HBA
3
HBD
160.8
PSA (Ų)
0.43
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H32O13
MW 588.56
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness 1.89

Literature References

PubMed DOI Target Context # Activities
38389870 10.1039/d3md00649b ATP-dependent translocase ABCB1 1

Data from ChEMBL 36 via Core Engine