Ro 04-6790
| SMILES | CNc1nc(NC)nc(c1)NS(=O)(=O)c1ccc(cc1)N |
| InChIKey | JELFWSXQTXRMAJ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 308.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | 5-HT6 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.24 | 7.28 | 7.35 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.29 | 7.29 | 7.29 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.6 | 7.9 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.54 | 7.54 | 7.54 | PDSP Ki database |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.5 | 7.6 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Mouse | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 7.58 | 7.58 | 7.58 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 7.3 | 7.3 | 7.3 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.6 | 4.6 | 4.6 | ChEMBL |