CHEMBL1852458


SMILES O=C(CNC(=O)c1ccncc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIKey XTUCGYCEOQKVGI-UMZWJABMSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 504.2

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
δ OPRD Human Opioid A pKi 6.28 6.28 6.28 ChEMBL
κ OPRK Human Opioid A pKi 6.69 6.69 6.69 ChEMBL
μ OPRM Human Opioid A pKi 9.14 9.14 9.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.72 7.72 7.72 ChEMBL
κ OPRK Human Opioid A pEC50 7.6 7.6 7.6 ChEMBL
μ OPRM Human Opioid A pEC50 8.55 8.55 8.55 ChEMBL