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Compound Detail

CHEMBL5401061

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CC(=O)O[C@H](CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)cc1)OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5401061
Phase Preclinical
Structure Type MOL
InChI Key PBCHINDGXDDCEA-LEWJYISDSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
3.62
ALogP
7
HBA
3
HBD
113.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H28O7
MW 416.47
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 1.26

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