ABANOQUIL
| SMILES | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 |
| InChIKey | ANZIISNSHPKVRV-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 395.2 |
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 |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 10.52 | 10.52 | 10.52 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.96 | 10.03 | 10.1 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 10.4 | 10.4 | 10.4 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 10.4 | 10.4 | 10.4 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |