GPCRdb

CHEMBL221421

Agent/drug
Bioactivity

CHEMBL221421

SMILES	CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2Cc2ccccc2)CCCC4)C[C@@]3(O)C1C5
InChIKey	IEAHEBXTBRYCRM-JYBLDVITSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	2
Rotatable bonds	2
Molecular weight (Da)	468.2

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	7.74	7.74	7.74	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	6.54	6.54	6.54	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	7.05	7.05	7.05	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pEC50	8.01	8.01	8.01	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	5.76	5.76	5.76	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	6.13	6.13	6.13	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL221421

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.