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 |
Endogenous/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 |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | 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 |
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 |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.4 | 6.92 | 7.43 | PDSP Ki database |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.29 | 6.69 | 7.09 | PDSP Ki database |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.02 | 6.7 | 7.37 | 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 |
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-HT2B | 5HT2B | 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 |
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 |
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 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |