CHEMBL401615


SMILES C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)O)CC[C@@]1(C)c1cccc(O)c1
InChIKey DSCWBCYOOWFVSG-MPBPSAADSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 495.3

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
δ OPRD Human Opioid A pKi 5.82 5.82 5.82 ChEMBL
κ OPRK Human Opioid A pKi 6.24 6.24 6.24 ChEMBL
μ OPRM Human Opioid A pKi 9.3 9.3 9.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pIC50 8.92 8.92 8.92 ChEMBL