Compound Detail

CHEMBL2370328

Enter ChEMBL ID:

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

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2370328
Phase	Preclinical
Structure Type	MOL
InChI Key	QTEVIWGWCOWBNP-CNGXOXJSSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1032.1

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C47H69N9O17
MW	1032.12

Activity Summary

Ki 2 meas. best 8.81

IC50 1 meas. best 6.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Delta-type opioid receptor CHEMBL269	Ki	8.81	8.81	1.6	1
Mu-type opioid receptor CHEMBL270	Ki	6.24	6.24	578.9	1
Oryctolagus cuniculus CHEMBL374	IC50	6.0	6.0	995.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Delta-type opioid receptor	Ki	=	1.55	nM	8.81	Opioid receptor delta 1 binding affinity by displacement of radioligand [3H][D-P...	9288177
Mu-type opioid receptor	Ki	=	578.9	nM	6.24	Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,M...	9288177
Oryctolagus cuniculus	IC50	=	995.0	nM	6.0	Bioactivity in vitro in rabbit jejunum (RJ) isolated organ preparation	9288177

Literature References

PubMed	DOI	Target Context	# Activities
9288177	10.1021/jm970119r	Mus musculus	2
9288177	10.1021/jm970119r	Delta-type opioid receptor	1
9288177	10.1021/jm970119r	Mu-type opioid receptor	1
9288177	10.1021/jm970119r	Oryctolagus cuniculus	1
9288177	10.1021/jm970119r	Opioid receptors; mu & delta	1

Data from ChEMBL 36 via Core Engine