GPCRdb

CHEMBL551613

Agent/drug
Bioactivity

CHEMBL551613

SMILES	O=C(c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)N1Cc2ccccc2C1
InChIKey	VWPKIYFLRDRFNX-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	3
Hydrogen bond donors	1
Rotatable bonds	2
Molecular weight (Da)	422.2

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	9.28	9.28	9.28	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	6.05	6.05	6.05	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	6.35	6.35	6.35	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	7.35	7.35	7.35	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL551613

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.