ArrestinDb

CHEMBL277863

Agent/drug
Bioactivity

CHEMBL277863

SMILES	COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1
InChIKey	HJUAKZYKCANOOZ-OAHLLOKOSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	0
Rotatable bonds	4
Molecular weight (Da)	413.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	8DZS 8DZR

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pKi	6.38	6.38	6.38	ChEMBL
κ	OPRK	Guinea pig	Opioid	A	pKi	9.35	9.35	9.35	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	9.30	9.30	9.30	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	7.46	7.46	7.46	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

κ	OPRK	Human	Opioid	A	pIC50	10.70	10.70	10.70	ChEMBL
M₁	ACM1	Rat	Acetylcholine (muscarinic)	A	Potency	4.75	4.75	4.75	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL277863

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	8DZS 8DZR

Compound is not listed as a drug.