GPCRdb

compound 3 [PMID: 23134120]

Agent/drug
Bioactivity

compound 3 [PMID: 23134120]

SMILES	Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1
InChIKey	QURAQIGQNZYJHP-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	1
Rotatable bonds	8
Molecular weight (Da)	295.2

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

κ	OPRK	Human	Opioid	A	pKi	8.23	8.23	8.23	Guide to Pharmacology
κ	OPRK	Human	Opioid	A	pKi	8.23	8.23	8.23	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	6.08	6.08	6.08	Guide to Pharmacology
μ	OPRM	Human	Opioid	A	pKi	6.08	6.08	6.08	ChEMBL
D₂	DRD2	Human	Dopamine	A	pKi	6.93	6.93	6.93	Guide to Pharmacology
D₂	DRD2	Human	Dopamine	A	pKi	6.93	6.93	6.93	ChEMBL
D₃	DRD3	Human	Dopamine	A	pKi	6.77	6.77	6.77	Guide to Pharmacology
D₃	DRD3	Human	Dopamine	A	pKi	6.78	6.78	6.78	ChEMBL

Showing 1 to 8 of 8 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

κ	OPRK	Human	Opioid	A	pEC50	7.46	7.46	7.46	Guide to Pharmacology
κ	OPRK	Human	Opioid	A	pEC50	6.35	7.08	7.46	ChEMBL
D₂	DRD2	Human	Dopamine	A	pEC50	6.74	6.74	6.74	ChEMBL
D₃	DRD3	Human	Dopamine	A	pEC50	7.49	7.49	7.49	ChEMBL

Showing 1 to 4 of 4 entries

compound 3 [PMID: 23134120]

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

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb

Compound is not listed as a drug.