CHEMBL318235


SMILES COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2
InChIKey UCNOTTVNPRSTFW-XSFNXXSESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 481.2

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
α2B ADA2B Human Adrenoceptors A pKi 7.68 8.19 8.82 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 8.0 8.97 9.57 ChEMBL
NK1 NK1R Human Tachykinin A pKi 6.51 6.51 6.51 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.9 6.9 6.9 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.55 8.25 8.51 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.43 6.43 6.43 ChEMBL
H1 HRH1 Human Histamine A pKi 7.13 7.13 7.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database