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Compound Detail

CHEMBL5175667

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CC(=O)O[C@H]1CC[C@H](C)[C@@H]2[C@@H]1C=C(C)[C@H]1/C(C)=C/CC/C(C)=C/[C@@H]3C=C(C(=O)O)[C@H](C)C[C@]34OC(=O)C(=C4O)C(=O)[C@@]21C

Basic Information

ChEMBL ID CHEMBL5175667
Phase Preclinical
Structure Type MOL
InChI Key SNWSRUVSBKCGHS-OHHPJZSZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

592.7
MW (Da)
6.19
ALogP
7
HBA
2
HBD
127.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H44O8
MW 592.73
Aromatic Rings 0
Heavy Atoms 43
NP-Likeness 2.19

Literature References

PubMed DOI Target Context # Activities
35640100 10.1021/acs.jnatprod.2c00444 Staphylococcus aureus 3
35640100 10.1021/acs.jnatprod.2c00444 Enterococcus faecalis 1
35640100 10.1021/acs.jnatprod.2c00444 Enterococcus faecium 1

Data from ChEMBL 36 via Core Engine