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
Sankey plot
Compound is not listed as a drug.
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 |