Compound Detail

CHEMBL414477

Enter ChEMBL ID:

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

CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL414477
Phase	Preclinical
Structure Type	BOTH
InChI Key	YKRXQWXJYINSNO-UTNUBTFASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1392.6

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C62H101N23O14
MW	1392.64

Activity Summary

Ki 3 meas. best 9.66

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mu-type opioid receptor CHEMBL270	Ki	9.66	9.66	0.2	1
Kappa-type opioid receptor CHEMBL3614	Ki	8.8	8.8	1.6	1
Delta-type opioid receptor CHEMBL3222	Ki	7.94	7.94	11.6	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mu-type opioid receptor	Ki	=	0.22	nM	9.66	Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determi...	14711314
Kappa-type opioid receptor	Ki	=	1.59	nM	8.8	Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was dete...	14711314
Delta-type opioid receptor	Ki	=	11.6	nM	7.94	Binding affinity towards opioid receptor delta 1 expressed in CHO cells was dete...	14711314

Literature References

PubMed	DOI	Target Context	# Activities
14711314	10.1021/jm030298e	Kappa-type opioid receptor	1
14711314	10.1021/jm030298e	Mu-type opioid receptor	1
14711314	10.1021/jm030298e	Delta-type opioid receptor	1
14711314	10.1021/jm030298e	Opioid receptors; mu/kappa/delta	1

Data from ChEMBL 36 via Core Engine