AROTINOLOL
| SMILES | CC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1 |
| InChIKey | BHIAIPWSVYSKJS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 371.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 9.74 | 9.74 | 9.74 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 9.26 | 9.26 | 9.26 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |