CHEMBL355931


SMILES CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O
InChIKey IRLHKDZNBJDLOJ-MOGSYDSFSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 10
Rotatable bonds 22
Molecular weight (Da) 899.5

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
NOP OPRX Human Opioid A pKi 7.46 7.46 7.46 ChEMBL
δ OPRD Human Opioid A pKi 5.15 5.15 5.15 ChEMBL
κ OPRK Human Opioid A pKi 6.36 6.36 6.36 ChEMBL
μ OPRM Human Opioid A pKi 6.3 6.3 6.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pEC50 5.55 5.55 5.55 ChEMBL