CHEMBL4463414


SMILES CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCNC(=N)Nc3ccc4[nH]c5c(c4c3)C[C@@]3(O)[C@H]4Cc6ccc(O)c7c6[C@@]3(CCN4CC3CC3)[C@H]5O7)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21
InChIKey KMHDVSRYNVXPOH-KMTFMGQQSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 8
Rotatable bonds 18
Molecular weight (Da) 1152.5

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 7.41 7.41 7.41 ChEMBL
κ OPRK Human Opioid A pKd 8.02 8.02 8.02 ChEMBL
κ OPRK Human Opioid A pKi 8.85 8.85 8.85 ChEMBL
μ OPRM Human Opioid A pKi 7.4 7.4 7.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database