CHEMBL550968


SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1C/C=C\C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
InChIKey ZCMCHWGSDARFIP-ULDPMOOISA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 22
Rotatable bonds 36
Molecular weight (Da) 1356.8

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
κ OPRK Rat Opioid A pKi 9.08 9.08 9.08 ChEMBL
δ OPRD Mouse Opioid A pKi 8.03 8.03 8.03 ChEMBL
μ OPRM Rat Opioid A pKi 8.63 8.63 8.63 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Rat Opioid A pEC50 9.1 9.1 9.1 ChEMBL