CHEMBL277375
| SMILES | c1ccc(-c2cc[nH]n2)c(NCC2=NCCN2)c1 |
| InChIKey | XQORNBVCMJFJOC-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 241.1 |
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 | 6.8 | 6.8 | 6.8 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pEC50 | 8.3 | 8.3 | 8.3 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 7.4 | 7.4 | 7.4 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pEC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 7.6 | 7.6 | 7.6 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 9.0 | 9.0 | 9.0 | ChEMBL |