CHEMBL1084436
SMILES | CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2C[C@@H](O)C[C@H]2CO)cc1-c1ccccc1Cl |
InChIKey | CJTUMEIDUUCTSL-PMACEKPBSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 615.2 |
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 |
NK1 | NK1R | Human | Tachykinin | A | pKi | 9.29 | 9.29 | 9.29 | ChEMBL |
NK3 | NK3R | Human | Tachykinin | A | pKi | 8.83 | 8.83 | 8.83 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |