Compound Detail

CHEMBL409529

Enter ChEMBL ID:

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

CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL409529
Phase	Preclinical
Structure Type	BOTH
InChI Key	GDGJOQZLWUKBPK-NKUVHBIJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1149.2

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C53H68N10O17S
MW	1149.25

Activity Summary

EC50 3 meas. best 8.92

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cholecystokinin receptor type A CHEMBL3501	EC50	8.92	8.92	1.2	1
Cholecystokinin receptor CHEMBL2095185	EC50	8.85	8.85	1.4	1
Gastrin/cholecystokinin type B receptor CHEMBL298	EC50	7.87	7.87	13.5	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cholecystokinin receptor type A	EC50	=	1.2	nM	8.92	In vitro smooth muscle contraction activity in guinea pig gall bladder cholecyst...	1495013
Cholecystokinin receptor	EC50	=	1.4	nM	8.85	In vitro smooth muscle contraction activity in guinea pig ileum consists of two ...	1495013
Gastrin/cholecystokinin type B receptor	EC50	=	13.5	nM	7.87	In vitro smooth muscle contraction activity in guinea pig stomach consisting of ...	1495013

Literature References

PubMed	DOI	Target Context	# Activities
1495013	10.1021/jm00093a013	Cavia porcellus	3
1495013	10.1021/jm00093a013	Cholecystokinin receptor type A	1
1495013	10.1021/jm00093a013	Cholecystokinin receptor	1
1495013	10.1021/jm00093a013	Gastrin/cholecystokinin type B receptor	1

Data from ChEMBL 36 via Core Engine