L-733,060
| SMILES | FC(F)(F)C1=CC(=CC(CO[C@H]2CCCN[C@H]2C3=CC=CC=C3)=C1)C(F)(F)F |
| InChIKey | FCDRFVCGMLUYPG-ROUUACIJSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 403.1 |
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 |
| NK1 | NK1R | Human | Tachykinin | A | pKi | 9.1 | 9.1 | 9.1 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NK1 | NK1R | Rat | Tachykinin | A | pIC50 | 9.1 | 9.1 | 9.1 | ChEMBL |
| NK1 | NK1R | Human | Tachykinin | A | pIC50 | 9.0 | 9.02 | 9.06 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.7 | 4.7 | 4.7 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.0 | 5.0 | 5.0 | ChEMBL |