Compound Detail

CHEMBL411621

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CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL411621
Phase	Preclinical
Structure Type	BOTH
InChI Key	SEIZBKXEAQKUCS-LAZOKAPKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1808.1

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C79H130N28O21
MW	1808.08

Activity Summary

Ki 2 meas. best 9.38

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Nociceptin receptor CHEMBL2014	Ki	9.38	9.38	0.4	1
Nociceptin receptor CHEMBL3621	Ki	6.9	6.9	125.9	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Nociceptin receptor	Ki	=	0.4169	nM	9.38	Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) exp...	15743186
Nociceptin receptor	Ki	=	125.89	nM	6.9	Affinity to nociceptin receptors on mouse forebrain membranes by [3H]NC-NH2 disp...	10956188

Literature References

PubMed	DOI	Target Context	# Activities
15743186	10.1021/jm040106v	Nociceptin receptor	13
10956188	10.1021/jm990075h	Mus musculus	3
10956188	10.1021/jm990075h	Nociceptin receptor	1

Data from ChEMBL 36 via Core Engine