L-694,247
| SMILES | NCCc1c[nH]c2c1cc(cc2)c1onc(n1)Cc1ccc(cc1)NS(=O)(=O)C |
| InChIKey | HKXMQLISPYELRD-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 411.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | 5-HT1B |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 9.3 | 9.3 | 9.3 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.5 | 6.5 | 6.5 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.5 | 8.5 | 8.5 | ChEMBL |