Compound Detail

CHEMBL5172060

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CC1=C[C@H]2[C@@H]([C@@H](C)CC[C@@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@H]2O)[C@]2(C)C(=O)C3=C(O)[C@@]4(C[C@@H](C)C(C(=O)O)=C[C@@]4(C)/C=C(\C)CC/C=C(\C)[C@H]12)OC3=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5172060
Phase	Preclinical
Structure Type	MOL
InChI Key	QXUYLFNRAAOWLG-WQXIUMPRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

710.9

MW (Da)

4.86

ALogP

HBA

HBD

180.1

PSA (Å²)

0.15

QED

Ro5 Violations

Rot. Bonds

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C40H54O11
MW	710.86
Aromatic Rings	0
Heavy Atoms	51
NP-Likeness	2.28

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