Compound Detail

CHEMBL1744450

Enter ChEMBL ID:

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

OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1744450
Phase	Preclinical
Structure Type	MOL
InChI Key	YRCDSVXMWSVKQF-TZYMYGJBSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1008.9

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C36H64O32
MW	1008.88

Activity Summary

IC50 2 meas. best 7.8

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cyclin-dependent kinase 2/cyclin A CHEMBL2094128	IC50	7.8	7.8	16.0	1
A2780 CHEMBL614004	IC50	7.22	7.22	60.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cyclin-dependent kinase 2/cyclin A	IC50	=	16.0	nM	7.8	Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintill...	20153204
A2780	IC50	=	60.0	nM	7.22	Antiproliferative activity against human A2780 cells after 72 hrs by fluorescenc...	20153204

Literature References

PubMed	DOI	Target Context	# Activities
20153204	10.1016/j.bmc.2010.01.042	No relevant target	1
20153204	10.1016/j.bmc.2010.01.042	A2780	1
20153204	10.1016/j.bmc.2010.01.042	Cyclin-dependent kinase 2/cyclin A	1

Data from ChEMBL 36 via Core Engine