Chembl1774949


SMILES O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3
InChIKey GPYPKJSWTUPINZ-MXCPSUOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 15
Molecular weight (Da) 804.5

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 8.1 8.1 8.1 ChEMBL
κ OPRK Human Opioid A pIC50 8.43 8.43 8.43 ChEMBL
κ OPRK Human Opioid A pEC50 9.08 9.08 9.08 ChEMBL
κ OPRK Human Opioid A pKi 10.14 10.14 10.14 ChEMBL
μ OPRM Human Opioid A pIC50 8.47 8.47 8.47 ChEMBL
μ OPRM Human Opioid A pEC50 8.92 8.92 8.92 ChEMBL
μ OPRM Human Opioid A pKi 10.05 10.05 10.05 ChEMBL