CHEMBL418800
SMILES | C[C@H](O[C@H]1CCCN(Cc2n[nH]c(O)n2)[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1 |
InChIKey | IBZJAXSAZUPUBI-JBYOLUDKSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 446.1 |
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 |
NK1 | NK1R | Rat | Tachykinin | A | pIC50 | 7.6 | 7.6 | 7.6 | ChEMBL |