CHEMBL555959


SMILES N=C(N)NCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C/C=C/C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O
InChIKey ONFRURLSNRTCHZ-BIZYMCCQSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 22
Rotatable bonds 34
Molecular weight (Da) 1300.7

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
κ OPRK Rat Opioid A pKi 8.61 8.61 8.61 ChEMBL
δ OPRD Mouse Opioid A pKi 6.34 6.34 6.34 ChEMBL
μ OPRM Rat Opioid A pKi 7.44 7.44 7.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Rat Opioid A pEC50 8.08 8.08 8.08 ChEMBL