CHEMBL473106
| SMILES | CCN1C(=S)SC(=O)C1=C1C=C(C)N(Cc2ccco2)C(C)=C1 |
| InChIKey | AQWLITYTSYRLNQ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 346.1 |
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 |
| OT | OXYR | Human | Vasopressin and oxytocin | A | pEC50 | 4.78 | 4.78 | 4.78 | ChEMBL |
| V1A | V1AR | Human | Vasopressin and oxytocin | A | pEC50 | 4.98 | 4.98 | 4.98 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.1 | 5.1 | 5.1 | ChEMBL |