CHEMBL414782


SMILES C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN
InChIKey MVPUNRVYBMTYQV-WBLIHRFOSA-N

Chemical properties

Hydrogen bond acceptors 31
Hydrogen bond donors 33
Rotatable bonds 68
Molecular weight (Da) 1970.1

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Guinea pig Opioid A pEC50 8.98 8.98 8.98 ChEMBL
NOP OPRX Mouse Opioid A pEC50 9.36 9.36 9.36 ChEMBL
NOP OPRX Human Opioid A pEC50 10.12 10.14 10.17 ChEMBL