CHEMBL124208
| SMILES | O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 |
| InChIKey | KSQAOYHTDJHQEM-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 407.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NK3 | NK3R | Guinea pig | Tachykinin | A | pKi | 4.1 | 4.1 | 4.1 | ChEMBL |
| NK2 | NK2R | Guinea pig | Tachykinin | A | pKi | 8.6 | 8.6 | 8.6 | ChEMBL |
| NK2 | NK2R | Rat | Tachykinin | A | pKi | 8.9 | 8.9 | 8.9 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
| NK1 | NK1R | Human | Tachykinin | A | pKi | 5.1 | 5.1 | 5.1 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |