CHEMBL1396553


SMILES COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey DSMNGWOUQMYTJH-RZXSNQJFSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 355.2

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 6.57 6.57 6.57 ChEMBL
κ OPRK Human Opioid A pKi 6.89 6.89 6.89 ChEMBL
μ OPRM Human Opioid A pKi 7.07 7.07 7.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.75 4.75 4.75 ChEMBL
δ OPRD Human Opioid A pIC50 6.0 6.0 6.0 ChEMBL
κ OPRK Human Opioid A pIC50 6.39 6.39 6.39 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.4 4.4 4.4 ChEMBL
μ OPRM Human Opioid A pIC50 7.02 7.02 7.02 ChEMBL