CHEMBL1259113
SMILES | CN1CCN(C2Cc3ccccc3Sc3ccc(CN)cc32)CC1 |
InChIKey | JTFHPPAFIYXSHF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 339.2 |
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 | 10.41 | 10.41 | 10.41 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 10.09 | 10.09 | 10.09 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 9.82 | 9.82 | 9.82 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.46 | 7.46 | 7.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |