CHEMBL89385
SMILES | O=C(COc1cc(Cl)cc(Cl)c1)N(c1ccc(Cl)c(Cl)c1)C1CCNCC1 |
InChIKey | QROSISYERPCHRH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 446.0 |
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 | Human | Tachykinin | A | pIC50 | 7.0 | 7.0 | 7.0 | ChEMBL |