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Compound Detail

CHEMBL5396837

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COc1cc(CC[C@H](C[C@H](CCc2ccc(O)cc2)OC(C)=O)OC(C)=O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5396837
Phase Preclinical
Structure Type MOL
InChI Key HAWUTTAFCUKXLJ-FCHUYYIVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
3.93
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30O7
MW 430.50
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 1.17

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
38516598 10.1039/d3md00645j Unchecked 1

Data from ChEMBL 36 via Core Engine