Compound Detail

CHEMBL1773986

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Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1773986
Phase	Preclinical
Structure Type	MOL
InChI Key	ZGUGZUGPYPBJAQ-CGGDTZFRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1089.2

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C53H84O23
MW	1089.23

Activity Summary

IC50 2 meas. best 5.81

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Neutrophil CHEMBL613710	IC50	5.81	5.77	1560.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Neutrophil	IC50	=	1560.0	nM	5.81	Inhibition of fMLP/CB-stimulated superoxide anion generation in human neutrophil...	21417387
Neutrophil	IC50	=	1870.0	nM	5.73	Inhibition of fMLP/CB-activated human neutrophil degranulation assessed as inhib...	21417387

Literature References

PubMed	DOI	Target Context	# Activities
21417387	10.1021/np100851s	Neutrophil	2
21417387	10.1021/np100851s	A549	1
21417387	10.1021/np100851s	HCT-8	1
21417387	10.1021/np100851s	KB	1
21417387	10.1021/np100851s	DU-145	1

Data from ChEMBL 36 via Core Engine