JTC-801


SMILES CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C
InChIKey VTGBZWHPJFMTKS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 411.2

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
NOP OPRX Human Opioid A pKi 8.09 8.09 8.09 ChEMBL
δ OPRD Human Opioid A pKi 5.06 5.06 5.06 ChEMBL
μ OPRM Human Opioid A pKi 6.99 6.99 6.99 ChEMBL
κ OPRK Human Opioid A pKi 5.98 5.98 5.98 ChEMBL
NOP OPRX Human Opioid A pKi 8.1 8.1 8.1 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pIC50 7.52 7.52 7.52 ChEMBL
μ OPRM Human Opioid A pIC50 5.82 5.82 5.82 ChEMBL
κ OPRK Human Opioid A pIC50 5.12 5.12 5.12 ChEMBL