Compound Detail

CHEMBL1824054

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C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1824054
Phase	Preclinical
Structure Type	BOTH
InChI Key	PCOKLAQIKLJNCC-PPQOTRBLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1679.0

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C78H107N19O19S2
MW	1678.96

Activity Summary

IC50 2 meas. best 7.82

EC50 1 meas. best 7.39

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Somatostatin receptor type 3 CHEMBL2028	IC50	7.82	7.82	15.0	1
Somatostatin receptor type 3 CHEMBL2028	EC50	7.39	7.39	41.0	1
Somatostatin receptor type 2 CHEMBL1804	IC50	6.97	6.97	106.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Somatostatin receptor type 3	IC50	=	15.0	nM	7.82	Displacement of 125I-[LTT]-SRIF-28 from human sst3 receptor in CCL39 cells after...	21806016
Somatostatin receptor type 3	EC50	=	41.0	nM	7.39	Partial agonist activity at human sst3 receptor expressed in CCL39 cells after 5...	21806016
Somatostatin receptor type 2	IC50	=	106.0	nM	6.97	Displacement of 125I-[LTT]-SRIF-28 from human sst2 receptor in CCL39 cells after...	21806016

Literature References

PubMed	DOI	Target Context	# Activities
21806016	10.1021/jm200307v	Somatostatin receptor type 3	4
21806016	10.1021/jm200307v	Somatostatin receptor type 1	1
21806016	10.1021/jm200307v	Somatostatin receptor type 2	1
21806016	10.1021/jm200307v	Somatostatin receptor type 4	1
21806016	10.1021/jm200307v	Somatostatin receptor type 5	1

Data from ChEMBL 36 via Core Engine