Compound Detail

CHEMBL356587

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Oc1cccc(C(c2ccccc2)N2CCN(Cc3ccccc3)CC2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL356587
Phase	Preclinical
Structure Type	MOL
InChI Key	HZZCYHBEEHSRRI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

358.5

MW (Da)

4.30

ALogP

HBA

HBD

26.7

PSA (Å²)

0.74

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 6.76

IC50 2 meas. best 7.47

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Delta-type opioid receptor CHEMBL269	IC50	7.47	7.47	34.0	1
Delta-type opioid receptor CHEMBL3222	EC50	6.76	6.76	174.0	1
Mu-type opioid receptor CHEMBL270	IC50	6.3	6.3	500.0	1
Mu-type opioid receptor CHEMBL4354	EC50	5.9	5.9	1250.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Delta-type opioid receptor	IC50	=	34.0	nM	7.47	Binding affinity was measured against Opioid receptor delta 1 using [3H]p-Cl-DPD...	9822547
Delta-type opioid receptor	EC50	=	174.0	nM	6.76	Tested for electrically induced smooth muscle contractions from mouse vas defere...	9822547
Mu-type opioid receptor	IC50	=	500.0	nM	6.3	Binding affinity was measured against Opioid receptor mu 1 using [3H]-DAMGO as r...	9822547
Mu-type opioid receptor	EC50	=	1250.0	nM	5.9	Tested for electrically induced smooth muscle contractions from guinea pig ileum...	9822547

PubMed	DOI	Target Context	# Activities
9822547	10.1021/jm980374r	Mu-type opioid receptor	2
9822547	10.1021/jm980374r	Delta-type opioid receptor	2
9822547	10.1021/jm980374r	Opioid receptors; mu & delta	1

Data from ChEMBL 36 via Core Engine