CHEMBL200881


SMILES O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(CC1CCC1)CC3
InChIKey QLUTYDCNNSXFHZ-NFPFDFKCSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 15
Molecular weight (Da) 787.6

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
δ OPRD Human Opioid A pKi 7.92 7.92 7.92 ChEMBL
κ OPRK Human Opioid A pKi 9.42 9.42 9.42 ChEMBL
μ OPRM Human Opioid A pKi 9.19 9.19 9.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.06 8.06 8.06 ChEMBL
μ OPRM Human Opioid A pIC50 6.82 6.82 6.82 ChEMBL
μ OPRM Human Opioid A pEC50 8.36 8.36 8.36 ChEMBL