CHEMBL266609


SMILES CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2SC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O
InChIKey TVMPRXGFXMXJRH-WKOTZWELSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 10
Rotatable bonds 22
Molecular weight (Da) 903.4

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 7.36 7.36 7.36 ChEMBL
δ OPRD Human Opioid A pKi 5.28 5.28 5.28 ChEMBL
κ OPRK Human Opioid A pKi 6.72 6.72 6.72 ChEMBL
μ OPRM Human Opioid A pKi 7.12 7.12 7.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pEC50 5.85 5.85 5.85 ChEMBL