CHEMBL1172247


SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CSSC[C@@H](N)C1=O
InChIKey OYHTUAKSBPLZSH-LTIDWATBSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 17
Rotatable bonds 22
Molecular weight (Da) 1357.5

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
μ OPRM Rat Opioid A pKi 8.07 8.07 8.07 ChEMBL
δ OPRD Human Opioid A pKi 8.04 8.04 8.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 6.39 6.39 6.39 ChEMBL
μ OPRM Rat Opioid A pIC50 7.7 7.7 7.7 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 5.8 6.1 6.4 ChEMBL
δ OPRD Human Opioid A pIC50 7.7 7.7 7.7 ChEMBL