CHEMBL72768
| SMILES | CSc1ccc(F)cc1NCC1=NCCN1 |
| InChIKey | BCCMUPQZPVRDCD-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 239.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/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 | 7.39 | 7.39 | 7.39 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.94 | 6.94 | 6.94 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.48 | 7.48 | 7.48 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.74 | 7.74 | 7.74 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Human | Adrenoceptors | A | pEC50 | 8.73 | 8.73 | 8.73 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 8.25 | 8.25 | 8.25 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 8.64 | 8.64 | 8.64 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pEC50 | 7.66 | 7.66 | 7.66 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 7.6 | 7.6 | 7.6 | ChEMBL |