CHEMBL1192051


SMILES O=C(NCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21
InChIKey MCEACDKESZXNJS-PJNBFDTGSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 6
Rotatable bonds 10
Molecular weight (Da) 774.5

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
α2B ADA2B Human Adrenoceptors A pKi 7.56 7.56 7.56 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 9.06 9.06 9.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database