GPCRdb

CHEMBL5416899

Agent/drug
Bioactivity

CHEMBL5416899

SMILES	CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CNC(=O)c4cnco4)cc4ccccc43)CC2)CC1
InChIKey	DIDXXNQKOFBLNV-GRGXKFILSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	6
Molecular weight (Da)	448.3

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	7.26	7.26	7.26	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	7.92	7.92	7.92	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	9.57	9.57	9.57	ChEMBL
NOP	OPRX	Human	Opioid	A	pKi	9.48	9.48	9.48	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	5.55	5.55	5.55	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	5.79	5.79	5.79	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	7.52	7.52	7.52	ChEMBL
NOP	OPRX	Human	Opioid	A	pEC50	8.03	8.03	8.03	ChEMBL

Showing 1 to 4 of 4 entries

CHEMBL5416899

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.