GPCRdb

CHEMBL5416582

Agent/drug
Bioactivity

CHEMBL5416582

SMILES	CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CN4CCCC4)cc4ccccc43)CC2)CC1
InChIKey	NJWKUHYGAJDRKS-QUPDYRNUSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	0
Rotatable bonds	5
Molecular weight (Da)	407.3

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pKi	6.93	6.93	6.93	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	7.51	7.51	7.51	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	9.24	9.24	9.24	ChEMBL
NOP	OPRX	Human	Opioid	A	pKi	8.94	8.94	8.94	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pEC50	6.03	6.03	6.03	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	7.40	7.40	7.40	ChEMBL
NOP	OPRX	Human	Opioid	A	pEC50	8.14	8.14	8.14	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL5416582

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

Compound is not listed as a drug.