U50488


SMILES O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl
InChIKey VQLPLYSROCPWFF-QZTJIDSGSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 368.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 9W49

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Rat Opioid A pKi 8.2 8.45 8.7 Guide to Pharmacology
μ OPRM Rat Opioid A pKi 5.86 5.86 5.86 ChEMBL
κ OPRK Human Opioid A pKi 8.21 8.68 9.26 ChEMBL
μ OPRM Human Opioid A pKi 5.86 5.86 5.86 ChEMBL
κ OPRK Human Opioid A pKi 7.8 8.75 9.7 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 9.0 9.0 9.0 Guide to Pharmacology
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.9 5.08 5.25 ChEMBL
κ OPRK Human Opioid A pEC50 8.7 8.7 8.7 ChEMBL
κ OPRK Human Opioid A pIC50 8.49 8.75 9.02 ChEMBL