CHEMBL3808415


SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O
InChIKey DBXXUNROIBQTKD-XFQSCKMHSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 23
Rotatable bonds 43
Molecular weight (Da) 1473.8

Drug properties

Molecular type Small molecule
Endogenous/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 pKd 5.39 5.39 5.39 ChEMBL
NOP OPRX Human Opioid A pKi 7.38 7.38 7.38 ChEMBL
δ OPRD Human Opioid A pKi 7.0 7.0 7.0 ChEMBL
κ OPRK Human Opioid A pKi 7.48 7.48 7.48 ChEMBL
μ OPRM Human Opioid A pKi 8.3 8.3 8.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 8.28 8.28 8.28 ChEMBL