Compound Detail

CHEMBL262992

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CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL262992
Phase	Preclinical
Structure Type	MOL
InChI Key	KXIGBLDYAYPKEM-IMAVANOCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1106.3

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C58H79N11O11
MW	1106.34

Activity Summary

EC50 3 meas. best 7.08

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Gastrin-releasing peptide receptor CHEMBL4959	EC50	7.08	7.08	84.0	1
Bombesin receptor subtype-3 CHEMBL4080	EC50	6.82	6.82	151.0	1
Neuromedin-B receptor CHEMBL3636	EC50	6.51	6.51	310.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Gastrin-releasing peptide receptor	EC50	=	84.0	nM	7.08	Effective concentration required against gastrin releasing peptide receptor (GRP...	12723954
Bombesin receptor subtype-3	EC50	=	151.0	nM	6.82	Effective concentration required against human bombesin receptor 3 (BRS-3) in CH...	12723954
Neuromedin-B receptor	EC50	=	310.0	nM	6.51	Effective concentration required against nueromedin B receptor (NMB-R) in CHO ce...	12723954

Literature References

PubMed	DOI	Target Context	# Activities
12723954	10.1021/jm0210921	Neuromedin-B receptor	1
12723954	10.1021/jm0210921	Gastrin-releasing peptide receptor	1
12723954	10.1021/jm0210921	Bombesin receptor subtype-3	1

Data from ChEMBL 36 via Core Engine