Compound Detail

CHEMBL505247

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CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OS(=O)(=O)O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL505247
Phase	Preclinical
Structure Type	MOL
InChI Key	DZVSPONQDHAPDF-RTQWZQBFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

877.1

MW (Da)

1.12

ALogP

HBA

HBD

279.4

PSA (Å²)

0.09

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C42H68O17S
MW	877.06
Aromatic Rings	0
Heavy Atoms	60
NP-Likeness	2.60

Literature References

PubMed	DOI	Target Context	# Activities
18442289	10.1021/np8000464	J774.A1	1
18442289	10.1021/np8000464	HEK293	1
18442289	10.1021/np8000464	WEHI-164	1

Data from ChEMBL 36 via Core Engine