dimethyl-W84


SMILES Cc1cccc2c1C(=O)N(C2=O)CCC[N+](CCCCCC[N+](CCCN1C(=O)c2c(C1=O)c(C)ccc2)(C)C)(C)C
InChIKey HMXRJKOINNJHNS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 15
Molecular weight (Da) 576.4

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
κ OPRK Human Opioid A pKi 8.3 9.25 10.2 Guide to Pharmacology
κ OPRK Rat Opioid A pKi 8.9 9.45 10.0 Guide to Pharmacology
μ OPRM Mouse Opioid A pKi 8.44 8.55 8.67 PDSP Ki database
δ OPRD Human Opioid A pKi 8.77 8.77 8.77 ChEMBL
κ OPRK Human Opioid A pKi 8.62 8.62 8.62 ChEMBL
μ OPRM Human Opioid A pKi 8.14 8.14 8.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 8.0 8.0 8.0 Guide to Pharmacology
κ OPRK Mouse Opioid A pIC50 10.0 10.0 10.0 Guide to Pharmacology