Compound Detail

CHEMBL504587

Enter ChEMBL ID:

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

C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL504587
Phase	Preclinical
Structure Type	BOTH
InChI Key	MRPJNGQFWWZSQY-FMCSKRGOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1882.1

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C84H128N28O22
MW	1882.12

Activity Summary

EC50 2 meas. best 8.24

IC50 2 meas. best 9.39

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Nociceptin receptor CHEMBL4503	IC50	9.39	9.39	0.4	2
Nociceptin receptor CHEMBL4503	EC50	8.24	8.24	5.8	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Nociceptin receptor	IC50	=	0.41	nM	9.39	Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green...	18818087
Nociceptin receptor	IC50	=	0.41	nM	9.39	Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green...	19577933
Nociceptin receptor	EC50	=	5.8	nM	8.24	Activation of rat ORL1 receptor expressed in african green monkey COS7 cells by ...	18818087
Nociceptin receptor	EC50	=	5.8	nM	8.24	Agonist activity at rat ORL1 receptor expressed in african green monkey COS7 cel...	19577933

Literature References

PubMed	DOI	Target Context	# Activities
19577933	10.1016/j.bmc.2009.06.015	Nociceptin receptor	4
18818087	10.1016/j.bmc.2008.09.014	Nociceptin receptor	2

Data from ChEMBL 36 via Core Engine