CYCLORPHAN


SMILES Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3
InChIKey NLBUEDSBXVNAPB-DFQSSKMNSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 297.2

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
κ OPRK Guinea pig Opioid A pKi 10.28 10.34 10.47 ChEMBL
δ OPRD Human Opioid A pKi 8.72 8.89 9.66 ChEMBL
κ OPRK Human Opioid A pKi 10.47 10.47 10.47 ChEMBL
μ OPRM Human Opioid A pKi 10.21 10.21 10.21 ChEMBL
δ OPRD Human Opioid A pKi 8.72 8.72 8.72 PDSP Ki database
κ OPRK Human Opioid A pKi 10.47 10.47 10.47 PDSP Ki database
μ OPRM Human Opioid A pKi 10.21 10.21 10.21 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 9.7 9.71 9.72 ChEMBL
μ OPRM Human Opioid A pEC50 9.1 9.1 9.1 ChEMBL
μ OPRM Human Opioid A pIC50 8.77 8.77 8.77 ChEMBL