CHEMBL297086
| SMILES | CCC(CC)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12 |
| InChIKey | PLCGOOJEDMEMOS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 458.3 |
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 |
| NK3 | NK3R | Human | Tachykinin | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 7.73 | 7.73 | 7.73 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |