CHEMBL5558127


SMILES CN1CC[C@H](OC(=O)[C@@H]2[C@H]3C[C@H]4c5[nH]c6ccccc6c5CCN4C[C@@H]3CC[C@@H]2O)C1
InChIKey BYRAPCDNKKBHQX-MLBFCADUSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 423.3

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pIC50 5.42 5.42 5.42 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 7.64 7.64 7.64 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 7.66 7.66 7.66 ChEMBL