CHEMBL1190317


SMILES O=C(NCCCNC(=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 OIXDQFQFMZDLEJ-XGOPIZSISA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 6
Rotatable bonds 6
Molecular weight (Da) 718.4

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 pKi 7.28 7.28 7.28 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.0 6.0 6.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database