Compound Detail

CHEMBL341480

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CC(C)C[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL341480
Phase	Preclinical
Structure Type	BOTH
InChI Key	OGDLYBQGTPBSRO-ZISJZQMRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

714.8

MW (Da)

-1.21

ALogP

HBA

HBD

260.7

PSA (Å²)

0.08

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 8.88

Ki 2 meas. best 7.51

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Opioid receptors; mu & delta CHEMBL2095149	IC50	8.88	8.88	1.3	1
Delta-type opioid receptor CHEMBL269	Ki	7.51	7.51	30.7	1
Mu-type opioid receptor CHEMBL270	Ki	6.8	6.8	157.0	1
Mu-type opioid receptor CHEMBL4354	IC50	6.65	6.65	224.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Opioid receptors; mu & delta	IC50	=	1.33	nM	8.88	Inhibition of electrically evoked contraction of guinea pig ileum (myenteric ple...	2828622
Delta-type opioid receptor	Ki	=	30.7	nM	7.51	Inhibition of [3H]DSLET binding to delta 1 opioid receptors in rat brain membran...	2828622
Mu-type opioid receptor	Ki	=	157.0	nM	6.8	Inhibition of [3H]DAGO binding to mu 1 opioid receptor in rat brain membranes	2828622
Mu-type opioid receptor	IC50	=	224.0	nM	6.65	Inhibition of electrically evoked contraction of guinea pig ileum (myenteric ple...	2828622

PubMed	DOI	Target Context	# Activities
2828622	10.1021/jm00397a019	Opioid receptors; mu & delta	3
2828622	10.1021/jm00397a019	Mu-type opioid receptor	2
2828622	10.1021/jm00397a019	Delta-type opioid receptor	1

Data from ChEMBL 36 via Core Engine