CHEMBL4762413


SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
InChIKey GTMHRCTXZNYSIX-IVIUVZLUSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 17
Rotatable bonds 37
Molecular weight (Da) 1244.8

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 5.41 5.41 5.41 ChEMBL
κ OPRK Human Opioid A pKi 7.21 7.21 7.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 5.11 5.11 5.11 ChEMBL
κ OPRK Human Opioid A pIC50 6.94 6.94 6.94 ChEMBL