TALIPEXOLE


SMILES C=CCN1CCc2nc(N)sc2CC1
InChIKey DHSSDEDRBUKTQY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 209.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations α2A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Rat Dopamine A pKi 5.57 6.91 8.24 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.17 7.17 7.17 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.21 6.21 6.21 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.01 6.88 8.89 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 7.17 7.8 8.74 PDSP Ki database
α2A ADA2A Pig Adrenoceptors A pKi 6.0 6.0 6.0 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 5.41 5.41 5.41 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 5.0 5.45 5.9 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 6.48 6.48 6.48 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 5.46 5.46 5.46 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 6.4 6.92 7.43 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 6.02 6.7 7.37 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.77 5.77 5.77 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 5.0 5.0 5.0 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 6.29 6.69 7.09 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.24 8.24 8.24 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.27 8.27 8.27 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.23 8.23 8.23 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.16 8.16 8.16 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
D2 DRD2 Human Dopamine A pKi 8.2 8.2 8.2 Drug Central
D3 DRD3 Human Dopamine A pKi 8.13 8.13 8.13 Drug Central
D4 DRD4 Human Dopamine A pKi 8.19 8.19 8.19 Drug Central
D5 DRD5 Human Dopamine A pKi 8.26 8.26 8.26 Drug Central
D2 DRD2 Rat Dopamine A pKi 8.08 8.08 8.08 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database