CHEMBL3616887


SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC2CCCCC21
InChIKey GRBZWBWIEMMTTK-YMDRHFLMSA-N

Chemical properties

Hydrogen bond acceptors 22
Hydrogen bond donors 24
Rotatable bonds 44
Molecular weight (Da) 1714.9

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 8.52 8.52 8.52 ChEMBL
μ OPRM Rat Opioid A pKi 8.7 8.7 8.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 8.17 8.17 8.17 ChEMBL
μ OPRM Rat Opioid A pIC50 8.32 8.32 8.32 ChEMBL