CHEMBL117248
| SMILES | CSc1ccccc1NCC1=NCCN1 |
| InChIKey | YGIWTZGEYHABOR-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 221.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.18 | 7.18 | 7.18 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.95 | 7.95 | 7.95 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.11 | 6.11 | 6.11 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.84 | 6.84 | 6.84 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.36 | 7.36 | 7.36 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.32 | 7.32 | 7.32 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Human | Adrenoceptors | A | pEC50 | 8.66 | 8.68 | 8.7 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pIC50 | 6.66 | 6.66 | 6.66 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pEC50 | 8.05 | 8.07 | 8.1 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 7.71 | 7.71 | 7.71 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 8.25 | 8.25 | 8.25 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 8.3 | 8.32 | 8.34 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 6.97 | 6.97 | 6.97 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 7.4 | 7.4 | 7.4 | ChEMBL |