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

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pKi 7.8 8.75 9.7 Guide to Pharmacology
κ OPRK Rat Opioid A pKi 8.2 8.45 8.7 Guide to Pharmacology
κ OPRK Rat Opioid A pKi 9.22 9.29 9.35 ChEMBL
κ OPRK Mouse Opioid A pKi 8.09 8.09 8.09 ChEMBL
κ OPRK Guinea pig Opioid A pKi 5.89 8.6 9.57 ChEMBL
μ OPRM Rat Opioid A pKi 5.67 5.86 6.14 ChEMBL
δ OPRD Human Opioid A pKi 4.68 5.29 5.6 ChEMBL
κ OPRK Human Opioid A pKi 6.92 8.79 10.03 ChEMBL
μ OPRM Human Opioid A pKi 6.08 6.31 6.54 ChEMBL
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
κ OPRK Rat Opioid A pIC50 9.17 9.18 9.19 ChEMBL
κ OPRK Mouse Opioid A pIC50 8.27 8.65 8.9 ChEMBL
κ OPRK Mouse Opioid A pEC50 5.31 7.25 8.77 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.75 4.89 5.25 ChEMBL
κ OPRK Guinea pig Opioid A pIC50 7.02 8.29 9.52 ChEMBL
μ OPRM Rat Opioid A pIC50 9.0 9.0 9.0 ChEMBL
κ OPRK Human Opioid A pIC50 6.43 8.72 9.52 ChEMBL
κ OPRK Human Opioid A pEC50 6.2 7.83 8.85 ChEMBL
μ OPRM Human Opioid A pEC50 5.32 5.32 5.32 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.7 5.03 5.2 ChEMBL