Compound Detail

CHEMBL2370333

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CC(=O)OC[C@H]1O[C@H](O[C@H](C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2370333
Phase	Preclinical
Structure Type	MOL
InChI Key	OATORUSDYAEZJF-CARIVLHESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1177.2

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C56H72N8O20
MW	1177.23

Activity Summary

Ki 2 meas. best 5.36

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mu-type opioid receptor CHEMBL270	Ki	5.36	5.36	4400.0	1
Delta-type opioid receptor CHEMBL269	Ki	4.65	4.65	22600.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mu-type opioid receptor	Ki	=	4400.0	nM	5.36	Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,M...	9288177
Delta-type opioid receptor	Ki	=	22600.0	nM	4.65	Opioid receptor delta 1 binding affinity by displacement of radioligand [3H][D-P...	9288177

Literature References

PubMed	DOI	Target Context	# Activities
9288177	10.1021/jm970119r	Delta-type opioid receptor	1
9288177	10.1021/jm970119r	Mu-type opioid receptor	1
9288177	10.1021/jm970119r	Cavia porcellus	1
9288177	10.1021/jm970119r	Opioid receptors; mu & delta	1

Data from ChEMBL 36 via Core Engine