CHEMBL414713


SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CSCCSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC1=O
InChIKey WJOUPUVSUGSQGN-DHILHQQKSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 18
Rotatable bonds 27
Molecular weight (Da) 1379.7

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Guinea pig Opioid A pIC50 7.0 7.0 7.0 ChEMBL
δ OPRD Human Opioid A pIC50 5.86 5.86 5.86 ChEMBL