CHEMBL311712
SMILES | CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(Cc3ccccn3)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 |
InChIKey | RQVBYRWUISROIZ-FEWZWGNISA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 13 |
Molecular weight (Da) | 780.2 |
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 |
NK3 | NK3R | Human | Tachykinin | A | pKi | 6.51 | 6.51 | 6.51 | ChEMBL |
NK2 | NK2R | Human | Tachykinin | A | pKi | 8.55 | 8.55 | 8.55 | ChEMBL |
NK1 | NK1R | Human | Tachykinin | A | pKi | 8.57 | 8.57 | 8.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |