Compound Detail

CHEMBL303855

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

C=CCN1CC(C)N(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)CC1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL303855
Phase	Preclinical
Structure Type	MOL
InChI Key	LBLDMHBSVIVJPM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

435.6

MW (Da)

4.54

ALogP

HBA

HBD

47.0

PSA (Å²)

0.62

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 9.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Delta-type opioid receptor CHEMBL3222	IC50	9.7	9.37	0.2	2
Mu-type opioid receptor CHEMBL270	IC50	7.33	7.33	46.3	1
Mu-type opioid receptor CHEMBL4354	IC50	6.84	6.84	143.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Delta-type opioid receptor	IC50	=	0.2	nM	9.7	Tested for agonist activity against delta opioid receptor mouse vas deferens	8035418
Delta-type opioid receptor	IC50	=	0.92	nM	9.04	Tested for inhibition of binding of [3H]DADLE to mouse brain membranes depleted ...	8035418
Mu-type opioid receptor	IC50	=	46.3	nM	7.33	Evaluated for inhibition of [3H]DAMGO binding from mu receptor in rat brain memb...	8035418
Mu-type opioid receptor	IC50	=	143.0	nM	6.84	Tested for agonist activity against mu opioid receptor in guinea pig ileum	8035418

PubMed	DOI	Target Context	# Activities
8035418	10.1021/jm00040a002	Mu-type opioid receptor	2
8035418	10.1021/jm00040a002	Delta-type opioid receptor	2
8035418	10.1021/jm00040a002	Unchecked	2

Data from ChEMBL 36 via Core Engine