CHEMBL4640826


SMILES Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccncc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey NDCYYZKYWWWIHX-RXJSGBQWSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 571.3

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 8.19 8.19 8.19 ChEMBL
κ OPRK Human Opioid A pKi 7.8 7.8 7.8 ChEMBL
μ OPRM Human Opioid A pKi 7.33 7.33 7.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 7.74 7.74 7.74 ChEMBL
μ OPRM Human Opioid A pEC50 7.25 7.25 7.25 ChEMBL