Compound Detail

CHEMBL1790778

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C[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1790778
Phase	Preclinical
Structure Type	MOL
InChI Key	ZXTWNLGGKJOAMK-FQZMKSKBSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1036.1

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C49H65N9O16
MW	1036.11

Activity Summary

Ki 2 meas. best 9.54

IC50 1 meas. best 8.51

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mu-type opioid receptor CHEMBL270	Ki	9.54	9.54	0.3	1
Cavia porcellus CHEMBL369	IC50	8.51	8.51	3.1	1
Delta-type opioid receptor CHEMBL269	Ki	7.17	7.17	67.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mu-type opioid receptor	Ki	=	0.29	nM	9.54	Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,M...	9288177
Cavia porcellus	IC50	=	3.1	nM	8.51	Bioactivity in vitro in guinea pig ileum (GPI) isolated organ preparation	9288177
Delta-type opioid receptor	Ki	=	67.0	nM	7.17	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	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	Cavia porcellus	1
9288177	10.1021/jm970119r	Opioid receptors; mu & delta	1

Data from ChEMBL 36 via Core Engine