Compound Detail

CHEMBL439494

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL439494
Phase	Preclinical
Structure Type	BOTH
InChI Key	PIFPEOIFYCDCNA-TXSOCPGVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1505.7

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C69H108N20O18
MW	1505.74

Activity Summary

IC50 3 meas. best 9.4

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Neurotensin receptor type 1 CHEMBL4123	IC50	9.4	9.4	0.4	1
Neurotensin receptor type 2 CHEMBL2514	IC50	8.4	8.4	4.0	1
Sortilin CHEMBL3091	IC50	6.36	6.36	440.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Neurotensin receptor type 1	IC50	=	0.4	nM	9.4	Evaluated for binding affinity by inhibiting binding of [125I]-Tyr(3)-NT to huma...	12954066
Neurotensin receptor type 2	IC50	=	4.0	nM	8.4	Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human...	12954066
Sortilin	IC50	=	440.0	nM	6.36	Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human...	12954066

Literature References

PubMed	DOI	Target Context	# Activities
12954066	10.1021/jm0300633	Neurotensin receptor type 1	1
12954066	10.1021/jm0300633	Neurotensin receptor type 2	1
12954066	10.1021/jm0300633	Sortilin	1

Data from ChEMBL 36 via Core Engine