CHEMBL1259174
SMILES | CC(=O)NCc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 |
InChIKey | YBCFDDCJLZVHPZ-FQEVSTJZSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 381.2 |
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 | 9.38 | 9.38 | 9.38 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 9.47 | 9.47 | 9.47 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 9.01 | 9.01 | 9.01 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 8.6 | 8.6 | 8.6 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.58 | 7.58 | 7.58 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.48 | 8.48 | 8.48 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |