Compound Detail

CHEMBL264133

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CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(N)c(I)c2)CSSC[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL264133
Phase	Preclinical
Structure Type	BOTH
InChI Key	ISZMJWBQCGWNNM-WXLOQYKYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1313.1

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C50H66I2N12O10S2
MW	1313.09

Activity Summary

IC50 4 meas. best 9.82

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Rattus norvegicus CHEMBL376	IC50	9.82	9.73	0.1	2
Somatostatin receptor type 2 CHEMBL1804	IC50	9.2	9.2	0.6	1
Somatostatin receptor type 5 CHEMBL1792	IC50	9.19	9.19	0.7	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Rattus norvegicus	IC50	=	0.15	nM	9.82	Inhibitory concentration on GH release from rat pituitary cells	16220980
Rattus norvegicus	IC50	=	0.23	nM	9.64	Inhibitory concentration on PRL release from rat pituitary cells	16220980
Somatostatin receptor type 2	IC50	=	0.63	nM	9.2	Inhibitory concentration against human somatostatin receptor type 2 in CC531 cel...	16220980
Somatostatin receptor type 5	IC50	=	0.65	nM	9.19	Inhibitory concentration against human somatostatin receptor type 5 in CHO-K1 ce...	16220980

Literature References

PubMed	DOI	Target Context	# Activities
16220980	10.1021/jm050376t	Rattus norvegicus	4
16220980	10.1021/jm050376t	Somatostatin receptor type 2	1
16220980	10.1021/jm050376t	Somatostatin receptor type 3	1
16220980	10.1021/jm050376t	Somatostatin receptor type 5	1

Data from ChEMBL 36 via Core Engine