CHEMBL1259080
SMILES | Cc1cccc(-c2ccc3c(c2)C(N2CCN(C)CC2)Cc2ccccc2S3)c1C |
InChIKey | ALJFHHUCGXIRIJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 2 |
Molecular weight (Da) | 414.2 |
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 | 8.92 | 8.92 | 8.92 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 8.82 | 8.82 | 8.82 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |