Compound Detail

CHEMBL452712

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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)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL452712
Phase	Preclinical
Structure Type	MOL
InChI Key	FYBHGBVHRPQYQC-GWIVOYSISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

861.1

MW (Da)

2.14

ALogP

HBA

HBD

259.2

PSA (Å²)

0.10

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	C42H68O16S
MW	861.06
Aromatic Rings	0
Heavy Atoms	59
NP-Likeness	2.61

Literature References

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

Data from ChEMBL 36 via Core Engine