CHEMBL414068


SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
InChIKey JWNVVACRXGNHPU-VYIWQZPZSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 20
Rotatable bonds 48
Molecular weight (Da) 1550.9

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 Mouse Opioid A pKi 6.38 6.38 6.38 ChEMBL
κ OPRK Guinea pig Opioid A pKi 8.42 8.42 8.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database