CHEMBL3408737


SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(N)=O)C1=O
InChIKey VBTIGXSUDIFYPI-GVAUOCQISA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 8
Rotatable bonds 13
Molecular weight (Da) 594.3

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
μ OPRM Rat Opioid A pKi 8.87 8.87 8.87 ChEMBL
δ OPRD Human Opioid A pKi 8.38 8.6 8.82 ChEMBL
κ OPRK Human Opioid A pKi 7.52 7.65 7.78 ChEMBL
μ OPRM Human Opioid A pKi 9.85 9.91 9.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.9 8.9 8.9 ChEMBL
μ OPRM Human Opioid A pEC50 8.26 9.42 10.0 ChEMBL
δ OPRD Mouse Opioid A pIC50 9.62 9.62 9.62 ChEMBL