CHEMBL257077
| SMILES | CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 |
| InChIKey | MHMZJEYRSGRQHH-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 470.2 |
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 |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.56 | 6.86 | 7.15 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.54 | 8.18 | 8.82 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.66 | 7.97 | 8.29 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.97 | 7.03 | 7.08 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.56 | 6.86 | 7.15 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.54 | 8.08 | 8.82 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.97 | 7.03 | 7.08 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |