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Compound Detail

CHEMBL5202399

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CC1=C[C@H]2[C@@H]([C@@H](C)CC[C@@H]2O)[C@]2(C)C(=O)C3=C(O)[C@@]4(C[C@@H](C)C(C(=O)O)=C[C@H]4/C=C(\C)CC/C=C(\C)[C@H]12)OC3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202399
Phase Preclinical
Structure Type MOL
InChI Key OJZAZNJBBANPBS-WETGHQJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

550.7
MW (Da)
5.62
ALogP
6
HBA
3
HBD
121.1
PSA (Ų)
0.22
QED
2
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H42O7
MW 550.69
Aromatic Rings 0
Heavy Atoms 40
NP-Likeness 2.21

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