RS-127445
| SMILES | Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C |
| InChIKey | ZZZQXCUPAJFVBN-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 281.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| ETB | EDNRB | Human | Endothelin | A | pKd | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| ETA | EDNRA | Human | Endothelin | A | pIC50 | 5.0 | 5.04 | 5.09 | ChEMBL |
| ETB | EDNRB | Human | Endothelin | A | pIC50 | 7.92 | 8.05 | 8.19 | ChEMBL |