Compound Detail

CHEMBL2371726

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CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2371726
Phase	Preclinical
Structure Type	BOTH
InChI Key	QORXQELQSJVKIL-XLSKZGPMSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1669.9

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C74H108N24O19S
MW	1669.89

Activity Summary

IC50 1 meas. best 9.07

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Gastrin-releasing peptide receptor CHEMBL4959	IC50	9.07	9.07	0.8	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Gastrin-releasing peptide receptor	IC50	=	0.85	nM	9.07	Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor exp...	15634004

Literature References

PubMed	DOI	Target Context	# Activities
15634004	10.1021/jm049437y	Gastrin-releasing peptide receptor	1

Data from ChEMBL 36 via Core Engine