CHEMBL4754076


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)CNC(=O)CNC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
InChIKey ILKPOIXWHKKYRB-NJFSYGJFSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 17
Rotatable bonds 38
Molecular weight (Da) 1231.8

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 6.68 6.68 6.68 ChEMBL
κ OPRK Human Opioid A pKi 7.2 7.2 7.2 ChEMBL
μ OPRM Human Opioid A pKi 5.8 5.8 5.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 6.38 6.38 6.38 ChEMBL
κ OPRK Human Opioid A pIC50 6.66 6.79 6.93 ChEMBL
μ OPRM Human Opioid A pIC50 5.79 5.79 5.79 ChEMBL