Compound Detail

CHEMBL4863501

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4863501
Phase	Preclinical
Structure Type	MOL
InChI Key	IUUQDLHWJYIDBO-PGPLBZSYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

4475.1

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C198H314N54O60S2
MW	4475.14

Activity Summary

IC50 4 meas. best 9.46

EC50 2 meas. best 10.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	EC50	10.0	9.675	0.1	2
Unchecked CHEMBL612545	IC50	9.46	9.1275	0.3	4

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	EC50	=	0.1	nM	10.0	Agonist activity at human AMY3R (CT+RAMP3) expressed in Hollex1 cells incubated ...	34288673
Unchecked	IC50	=	0.35	nM	9.46	Displacement of [125I]-amylin from human AMY3R (CTR+RAMP3) expressed in BHK-13 c...	34288673
Unchecked	EC50	=	0.447	nM	9.35	Agonist activity at human calcitonin receptor expressed in BHK570 cells assessed...	34288673
Unchecked	IC50	=	0.532	nM	9.27	Displacement of [125I]-amylin from rat AMY3R (CTR+RAMP3) expressed in BHK-13 cel...	34288673
Unchecked	IC50	=	0.811	nM	9.09	Displacement of [125I]-calcitonin from human calcitonin receptor expressed in tk...	34288673
Unchecked	IC50	=	2.058	nM	8.69	Displacement of [125I]-calcitonin from rat calcitonin receptor expressed in tk-t...	34288673

Literature References

PubMed	DOI	Target Context	# Activities
34288673	10.1021/acs.jmedchem.1c00565	Unchecked	11
34288673	10.1021/acs.jmedchem.1c00565	No relevant target	8
34288673	10.1021/acs.jmedchem.1c00565	Insulin	4
34288673	10.1021/acs.jmedchem.1c00565	Rattus norvegicus	4

Data from ChEMBL 36 via Core Engine