CHEMBL3144471


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-KGDWVMNSSA-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 7.47 7.47 7.47 ChEMBL
δ OPRD Human Opioid A pKi 6.65 6.65 6.65 ChEMBL
κ OPRK Human Opioid A pKi 7.11 7.11 7.11 ChEMBL
μ OPRM Human Opioid A pKi 7.28 7.28 7.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database