alvimopan


SMILES OC(=O)CNC(=O)[C@@H](Cc1ccccc1)CN1CC[C@@]([C@H](C1)C)(C)c1cccc(c1)O
InChIKey UPNUIXSCZBYVBB-JVFUWBCBSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 424.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 7UL4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 7.92 7.92 7.92 Guide to Pharmacology
κ OPRK Human Opioid A pKi 7.0 7.0 7.0 Guide to Pharmacology
μ OPRM Human Opioid A pKi 9.33 9.33 9.33 Guide to Pharmacology
κ OPRK Human Opioid A pKi 8.15 8.15 8.15 Drug Central
μ OPRM Human Opioid A pKi 8.03 8.03 8.03 Drug Central
δ OPRD Human Opioid A pKi 8.1 8.1 8.1 Drug Central
δ OPRD Human Opioid A pKi 7.92 8.11 8.3 ChEMBL
κ OPRK Human Opioid A pKi 7.0 7.0 7.0 ChEMBL
μ OPRM Human Opioid A pKi 9.11 9.31 9.5 ChEMBL
κ OPRK Guinea pig Opioid A pKi 8.08 8.08 8.08 Drug Central
κ OPRK Guinea pig Opioid A pKi 8.3 8.3 8.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pIC50 8.5 8.6 8.77 ChEMBL