Compound Detail

CHEMBL3038183

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N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3038183
Phase	Preclinical
Structure Type	MOL
InChI Key	RPKMHCAOERKVEC-DYTOPAQESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

620.8

MW (Da)

3.23

ALogP

HBA

HBD

145.0

PSA (Å²)

0.15

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 2 meas. best 9.51

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Delta-type opioid receptor CHEMBL269	Ki	9.51	9.51	0.3	1
Mu-type opioid receptor CHEMBL270	Ki	5.49	5.49	3230.0	1

Parameter	Value	Units	Species
Ke	2.89	nM	Mus musculus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Delta-type opioid receptor	Ki	=	0.308	nM	9.51	Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes	23932788
Mu-type opioid receptor	Ki	=	3230.0	nM	5.49	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes	23932788

PubMed	DOI	Target Context	# Activities
23932788	10.1016/j.bmcl.2013.07.036	Delta-type opioid receptor	2
23932788	10.1016/j.bmcl.2013.07.036	Unchecked	2
23932788	10.1016/j.bmcl.2013.07.036	mu/kappa opioid receptor	1
23932788	10.1016/j.bmcl.2013.07.036	Kappa-type opioid receptor	1
23932788	10.1016/j.bmcl.2013.07.036	Mu-type opioid receptor	1

Data from ChEMBL 36 via Core Engine