TUG-2304


SMILES O=C(N[C@H](CC1=NN=NN1)CC2=CC=C(C(F)(F)F)C=C2)CC3=CC(OC)=CC=C3
InChIKey AFMDUVFVMUUFKZ-INIZCTEOSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 419.2

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
δ OPRD Human Opioid A pKi 6.17 6.17 6.17 ChEMBL
κ OPRK Human Opioid A pKi 7.55 7.55 7.55 ChEMBL
μ OPRM Human Opioid A pKi 7.68 7.68 7.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database