GPCRdb

CHEMBL4100943

Agent/drug
Bioactivity

CHEMBL4100943

SMILES	Oc1ccc2c(c1)C13CCN(CC4CC4)C(C2)C12CCC1C3[C@@H](CN1Cc1ccccc1)O2
InChIKey	SQPDBQGHMSONLQ-CZSFLALXSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	4
Molecular weight (Da)	442.3

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	9.30	9.30	9.30	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	8.86	8.86	8.86	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	8.81	8.81	8.81	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	9.17	9.17	9.17	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL4100943

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.