CHEMBL1371996
| SMILES | COc1cccc(C2c3c(ncn(CCCN4CCOCC4)c3=N)Oc3ccc4ccccc4c32)c1 |
| InChIKey | DZBRGIZAAXRFFP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 482.2 |
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 |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.85 | 4.85 | 4.85 | ChEMBL |
| V1B | V1BR | Human | Vasopressin and oxytocin | A | Potency | 4.36 | 4.36 | 4.36 | ChEMBL |