CHEMBL4780433


SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O
InChIKey YTVCUSYFBNSHSI-HFNQZEBGSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 18
Rotatable bonds 37
Molecular weight (Da) 1204.7

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 6.14 6.14 6.14 ChEMBL
κ OPRK Human Opioid A pKi 7.01 7.01 7.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 5.06 5.06 5.06 ChEMBL
κ OPRK Human Opioid A pIC50 6.73 6.73 6.73 ChEMBL