CHEMBL5505942


SMILES N[C@H]1C[C@H](OC(=O)[C@@H]2[C@H]3C[C@H]4c5[nH]c6ccccc6c5CCN4C[C@@H]3CC[C@@H]2O)C1
InChIKey YLDUEWVEKPTTKB-ZPMKUQPVSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Molecular weight (Da) 409.2

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
α2A ADA2A Human Adrenoceptors A pKd 7.55 7.8 8.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2B ADA2B Human Adrenoceptors A pIC50 5.76 5.76 5.76 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 8.36 8.36 8.36 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 7.85 7.85 7.85 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 7.75 7.93 8.11 ChEMBL