CHEMBL3647962


SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc4ccccc41)C3)C2
InChIKey OWAGGONYNCKXDC-PCXLCNFCSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 449.3

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
NOP OPRX Human Opioid A pKi 8.96 8.96 8.96 ChEMBL
δ OPRD Human Opioid A pKi 6.16 6.16 6.16 ChEMBL
κ OPRK Human Opioid A pKi 6.16 6.8 7.12 ChEMBL
μ OPRM Human Opioid A pKi 7.21 7.21 7.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database