compound 3 [PMID: 23134120]


SMILES Oc1cccc(c1)CCN(CC1CC1)CCc1ccccc1
InChIKey QURAQIGQNZYJHP-UHFFFAOYSA-N

Chemical properties

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

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pKi 6.93 6.93 6.93 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 6.77 6.77 6.77 Guide to Pharmacology
κ OPRK Human Opioid A pKi 8.23 8.23 8.23 Guide to Pharmacology
μ OPRM Human Opioid A pKi 6.08 6.08 6.08 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 6.78 6.78 6.78 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.93 6.93 6.93 ChEMBL
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 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.46 7.46 7.46 Guide to Pharmacology
D3 DRD3 Human Dopamine A pEC50 7.49 7.49 7.49 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.74 6.74 6.74 ChEMBL
κ OPRK Human Opioid A pEC50 6.35 7.08 7.46 ChEMBL