CHEMBL91157


SMILES COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2
InChIKey JWYUBODPEUBFLH-FSTMKDAKSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 463.2

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 7.82 8.29 8.52 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 8.85 9.65 10.0 ChEMBL
H1 HRH1 Human Histamine A pKi 6.95 6.95 6.95 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.8 9.01 9.52 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.36 6.36 6.36 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.32 6.32 6.32 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.64 6.64 6.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database