Compound Detail

CHEMBL4764309

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COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]4O)cc3o2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4764309
Phase	Preclinical
Structure Type	MOL
InChI Key	LVOGUHTYJUNQSC-AIUGDTPHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

880.8

MW (Da)

-1.26

ALogP

HBA

HBD

315.3

PSA (Å²)

0.08

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C40H48O22
MW	880.80
Aromatic Rings	3
Heavy Atoms	62
NP-Likeness	1.65

Literature References

PubMed	DOI	Target Context	# Activities
32991171	10.1021/acs.jnatprod.0c00756	HT-22	1

Data from ChEMBL 36 via Core Engine