Compound Detail

CHEMBL3237621

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

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3237621
Phase	Preclinical
Structure Type	MOL
InChI Key	PLPYVXNPZDPGJJ-XVKLEQHPSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1535.3

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C56H86N4O45
MW	1535.29

Activity Summary

Kd 2 meas. best 4.78

IC50 1 meas. best 4.19

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
CD44 antigen CHEMBL3232692	Kd	4.78	4.78	16700.0	1
CD44 antigen CHEMBL3232693	Kd	4.49	4.49	32700.0	1
CD44 antigen CHEMBL3232692	IC50	4.19	4.19	65000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
CD44 antigen	Kd	=	16700.0	nM	4.78	Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain...	24606063
CD44 antigen	Kd	=	32700.0	nM	4.49	Binding affinity to immobilized recombinant mouse CD44 hyaluronan binding domain...	24606063
CD44 antigen	IC50	=	65000.0	nM	4.19	Inhibition of recombinant human hyaluronan binding domain of CD44 binding to imm...	24606063

Literature References

PubMed	DOI	Target Context	# Activities
24606063	10.1021/jm5000276	CD44 antigen	3

Data from ChEMBL 36 via Core Engine