CHEMBL1527445
| SMILES | Cc1ccc(-c2csc3nnc(SCC(=O)Nc4nsc(-c5ccccc5)n4)n23)cc1 |
| InChIKey | RQCMBGOLKWZWSI-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 464.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| OX1 | OX1R | Human | Orexin | A | pIC50 | 5.25 | 5.42 | 5.6 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | ChEMBL |