CHEMBL1259079
SMILES | Cc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)cc1 |
InChIKey | ACJNHQLAGNWKBM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 2 |
Molecular weight (Da) | 400.2 |
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 | 9.09 | 9.09 | 9.09 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 8.96 | 8.96 | 8.96 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 8.23 | 8.23 | 8.23 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |