Compound Detail

CHEMBL4441305

Enter ChEMBL ID:

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

CC[C@@H]1[C@@H](C)O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]3(O)C[C@@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](CC)[C@@H](C)O3)OC(=O)/C(C)=C/C=C/[C@@H]2C)C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4441305
Phase	Preclinical
Structure Type	MOL
InChI Key	LMEAUGPRDIBMKA-VKZYWMMMSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1039.3

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C55H90O18
MW	1039.31

Activity Summary

IC50 3 meas. best 6.72

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MCF7 CHEMBL387	IC50	6.72	6.72	190.0	1
HeLa CHEMBL399	IC50	6.72	6.72	190.0	1
Unchecked CHEMBL612545	IC50	6.35	6.35	447.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MCF7	IC50	=	190.0	nM	6.72	Cytotoxicity against human MCF7 cells assessed as cell growth inhibition	35063731
HeLa	IC50	=	190.0	nM	6.72	Cytotoxicity against human HeLa cells assessed as cell growth inhibition	35063731
Unchecked	IC50	=	447.0	nM	6.35	Inhibition of BMI1 promoter in HEK293T cells incubated for 24 hrs by luciferase ...	31079965

Literature References

PubMed	DOI	Target Context	# Activities
31079965	10.1016/j.bmc.2019.05.002	Unchecked	1
35063731	10.1016/j.ejmech.2022.114117	MCF7	1
35063731	10.1016/j.ejmech.2022.114117	HeLa	1

Data from ChEMBL 36 via Core Engine