CHEMBL553657


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-FVJNEYOWSA-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 7.06 7.06 7.06 ChEMBL
δ OPRD Mouse Opioid A pKi 5.12 5.12 5.12 ChEMBL
μ OPRM Rat Opioid A pKi 6.12 6.12 6.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Rat Opioid A pEC50 6.72 6.72 6.72 ChEMBL