CHEMBL3936553
| SMILES | CCc1nc2ccc(OC)c(C3CCCC(=O)N3Cc3cccc(-c4csc(C)n4)c3)c2o1 |
| InChIKey | NJRTZDHIASYZLC-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 461.2 |
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 | 8.0 | 8.0 | 8.0 | ChEMBL |
| OX2 | OX2R | Human | Orexin | A | pIC50 | 7.48 | 7.48 | 7.48 | ChEMBL |