Compound Detail

CHEMBL413944

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

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](Cc1ccc(F)cc1)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	CHEMBL413944
Phase	Preclinical
Structure Type	BOTH
InChI Key	WDYPXARJCWSHOK-VCHJKMGOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1826.1

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C79H129FN28O21
MW	1826.07

Activity Summary

EC50 2 meas. best 8.23

Ki 1 meas. best 9.62

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Nociceptin receptor CHEMBL2014	Ki	9.62	9.62	0.2	1
Nociceptin receptor CHEMBL2014	EC50	8.23	7.745	5.9	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Nociceptin receptor	Ki	=	0.2399	nM	9.62	Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) exp...	15743186
Nociceptin receptor	EC50	=	5.888	nM	8.23	Agonist potency against GTPgammaS binding in CHO cell membranes expressing the h...	15743186
Nociceptin receptor	EC50	=	54.95	nM	7.26	Inhibition of forskolin stimulated cAMP levels in CHO cell membranes expressing ...	15743186

Literature References

PubMed	DOI	Target Context	# Activities
15743186	10.1021/jm040106v	Nociceptin receptor	13

Data from ChEMBL 36 via Core Engine