GPCRdb

CHEMBL4111803

Agent/drug
Bioactivity

CHEMBL4111803

SMILES	COC(=O)COc1ccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1
InChIKey	IEWGSARMLOQVFC-ASIKSVMXSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	0
Rotatable bonds	11
Molecular weight (Da)	589.3

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	6.13	6.13	6.13	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	7.92	7.92	7.92	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	7.72	7.72	7.72	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	6.11	6.11	6.11	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	7.02	7.02	7.02	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4111803

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.