CHEMBL1259023
SMILES | CN1CCN(C2Cc3ccccc3Sc3ccc(-c4cccnc4)cc32)CC1 |
InChIKey | KHPGADABEDKFQQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 2 |
Molecular weight (Da) | 387.2 |
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 | 9.59 | 9.59 | 9.59 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 9.72 | 9.72 | 9.72 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 9.21 | 9.21 | 9.21 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |