ALTANSERIN
SMILES | O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1 |
InChIKey | SMYALUSCZJXWHG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 411.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 7.21 | 7.21 | 7.21 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.52 | 9.71 | 9.89 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 6.9 | 6.92 | 6.93 | PDSP Ki database |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.98 | 5.98 | 5.98 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.21 | 7.21 | 7.21 | ChEMBL |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.58 | 9.01 | 9.85 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.82 | 8.82 | 8.82 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.4 | 4.4 | 4.4 | ChEMBL |