CHEMBL1259190
SMILES | CC(C)C(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 |
InChIKey | SHVCHMGRIYXVAY-NRFANRHFSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 409.2 |
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 | 9.7 | 9.7 | 9.7 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 9.8 | 9.8 | 9.8 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.03 | 7.03 | 7.03 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.35 | 8.35 | 8.35 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |