CHEMBL3740874
| SMILES | N#Cc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)c(F)c1 |
| InChIKey | IFZLFGIBQMPJFC-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 468.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Human | Adrenoceptors | A | pIC50 | 7.46 | 7.46 | 7.46 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 6.02 | 6.02 | 6.02 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 6.89 | 6.89 | 6.89 | ChEMBL |