Compound Detail

CHEMBL386811

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CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(S(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)OCCc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL386811
Phase	Preclinical
Structure Type	BOTH
InChI Key	CVCDJFWPDDHHOS-IURJAOHMSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1052.2

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C50H65N7O14S2
MW	1052.24

Activity Summary

IC50 4 meas. best 9.52

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Pancreatic alpha-amylase CHEMBL2045	IC50	9.52	9.52	0.3	1
Gastrin/cholecystokinin type B receptor CHEMBL298	IC50	8.15	7.0433	7.0	3

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Pancreatic alpha-amylase	IC50	=	0.3	nM	9.52	Tested in vitro for inhibition of amylase release from rat pancreatic acini	7692048
Gastrin/cholecystokinin type B receptor	IC50	=	7.0	nM	8.15	Tested for inhibition of [125I]BH-CCK- binding to peripheral cholecystokinin typ...	7692048
Gastrin/cholecystokinin type B receptor	IC50	=	210.0	nM	6.68	Inhibition of [125I]BH-CCK- binding to cholecystokinin type B receptor from jurk...	7692048
Gastrin/cholecystokinin type B receptor	IC50	=	500.0	nM	6.3	Inhibition of [125I]BH-CCK- binding to cholecystokinin type B receptor from guin...	7692048

Literature References

PubMed	DOI	Target Context	# Activities
7692048	10.1021/jm00072a024	Gastrin/cholecystokinin type B receptor	3
7692048	10.1021/jm00072a024	Pancreatic alpha-amylase	2

Data from ChEMBL 36 via Core Engine