ISAMOLTAN
SMILES | CC(C)NCC(O)COc1ccccc1-n1cccc1 |
InChIKey | XVTVPGKWYHWYAD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 274.2 |
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 |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.31 | 7.31 | 7.31 | ChEMBL |
5-HT1D | F1MMU1 | Bovine | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.45 | 5.89 | PDSP Ki database |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 6.95 | 6.95 | 6.95 | PDSP Ki database |
5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 5.09 | 5.09 | 5.09 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |