BIPHALIN


SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKey DESSEGDLRYOPTJ-VRANXALZSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 12
Rotatable bonds 22
Molecular weight (Da) 908.4

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
κ OPRK Rat Opioid A pKi 6.55 6.55 6.55 ChEMBL
μ OPRM Rat Opioid A pKi 8.59 8.85 9.1 ChEMBL
δ OPRD Human Opioid A pKi 8.34 8.56 8.59 ChEMBL
κ OPRK Human Opioid A pKi 6.57 6.57 6.57 ChEMBL
μ OPRM Human Opioid A pKi 7.92 7.92 7.92 ChEMBL
δ OPRD Human Opioid A pKi 8.96 8.96 8.96 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.57 8.28 8.57 ChEMBL
δ OPRD Mouse Opioid A pEC50 7.04 7.04 7.04 ChEMBL
μ OPRM Rat Opioid A pIC50 8.22 8.22 8.22 ChEMBL
μ OPRM Rat Opioid A pEC50 7.92 8.07 8.22 ChEMBL
δ OPRD Human Opioid A pIC50 8.59 8.68 8.95 ChEMBL
δ OPRD Human Opioid A pEC50 8.59 8.92 9.0 ChEMBL
μ OPRM Human Opioid A pIC50 8.85 8.85 8.85 ChEMBL
μ OPRM Human Opioid A pEC50 9.0 9.0 9.0 ChEMBL