INDALPINE
SMILES | C1CNCCC1CCC2=CNC3=CC=CC=C32 |
InChIKey | SADQVAVFGNTEOD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 1 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 228.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.02 | 5.04 | PDSP Ki database |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.35 | 5.35 | 5.35 | PDSP Ki database |
5-HT1D | F1MMU1 | Bovine | 5-Hydroxytryptamine | A | pKi | 5.44 | 5.44 | 5.44 | PDSP Ki database |
5-HT2C | A0A4W2GLI9 | Hybrid cattle | 5-Hydroxytryptamine | A | pKi | 5.49 | 5.49 | 5.49 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |