CHEMBL4285281


SMILES COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2
InChIKey KFMXRGXNQZECTP-IAGOWNOFSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 297.1

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 6.24 6.24 6.24 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 6.51 6.51 6.51 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 7.72 7.72 7.72 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.94 5.94 5.94 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.89 7.89 7.89 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.15 7.15 7.15 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.92 5.92 5.92 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.07 6.07 6.07 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.61 6.61 6.61 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.06 6.06 6.06 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.92 6.92 6.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pIC50 6.62 6.62 6.62 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 7.77 8.27 8.77 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 8.16 8.5 8.85 ChEMBL