REBOXETINE


SMILES CCOc1ccccc1OC(c1ccccc1)C1CNCCO1
InChIKey CBQGYUDMJHNJBX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 313.2

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
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.34 6.34 6.34 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database