tertatolol


SMILES OC(COc1cccc2c1SCCC2)CNC(C)(C)C
InChIKey HTWFXPCUFWKXOP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 295.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations β3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Mouse Adrenoceptors A pKi 7.0 7.0 7.0 Guide to Pharmacology
β3 ADRB3 Rat Adrenoceptors A pKi 7.0 7.0 7.0 Guide to Pharmacology
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.42 7.75 8.11 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.0 8.09 8.17 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-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 6.74 7.49 8.24 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 6.44 6.44 6.44 PDSP Ki database
5-HT1B 5HT1B Guinea pig 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.09 8.09 8.09 Drug Central
β3 ADRB3 Human Adrenoceptors A pKi 8.07 8.07 8.07 Drug Central
β3 ADRB3 Mouse Adrenoceptors A pKi 8.15 8.15 8.15 Drug Central
β3 ADRB3 Rat Adrenoceptors A pKi 8.15 8.15 8.15 Drug Central
β3 ADRB3 Human Adrenoceptors A pKi 8.6 8.6 8.6 Guide to Pharmacology
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.09 8.09 8.09 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database