CHEMBL4128460
| SMILES | COc1cc2nc(N3CCN(C(=O)C(C)(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC |
| InChIKey | HEMORBXXFYODCC-DLBZAZTESA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 427.3 |
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 |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.11 | 9.11 | 9.11 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |