CHEMBL4580789


SMILES O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1C1CCCC1
InChIKey JREDGYCNIRJYKG-PTSROERVSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 515.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pKi 8.09 8.09 8.09 ChEMBL
μ OPRM Mouse Opioid A pKi 9.22 9.22 9.22 ChEMBL
δ OPRD Mouse Opioid A pKi 7.47 7.47 7.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Mouse Opioid A pEC50 8.73 8.73 8.73 ChEMBL