CHEMBL1259098
| SMILES | Cc1cc(C)c(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c(C)c1 |
| InChIKey | XNFVTFMFMPGVGG-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 428.2 |
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 | Golden hamster | Adrenoceptors | A | pKi | 8.74 | 8.74 | 8.74 | ChEMBL |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.31 | 8.31 | 8.31 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |