CHEMBL4754961


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](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
InChIKey FXBTWOVLKURNIB-VGXZEHLRSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 16
Rotatable bonds 31
Molecular weight (Da) 979.6

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 8.21 8.21 8.21 ChEMBL
κ OPRK Human Opioid A pKi 9.52 9.52 9.52 ChEMBL
μ OPRM Human Opioid A pKi 6.42 6.42 6.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 7.95 7.95 7.95 ChEMBL
κ OPRK Human Opioid A pIC50 9.26 9.26 9.26 ChEMBL
μ OPRM Human Opioid A pIC50 6.19 6.19 6.19 ChEMBL