CHEMBL25467
SMILES | C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3 |
InChIKey | WKXSXFYQPCWZOS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 1 |
Molecular weight (Da) | 263.1 |
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 | Human | Adrenoceptors | A | pKi | 7.64 | 7.66 | 7.7 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.5 | 8.7 | 8.8 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.47 | 8.47 | 8.47 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.68 | 7.68 | 7.68 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.44 | 7.49 | 7.6 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
α1B | A0A4X1U0M4 | Pig | Adrenoceptors | A | pKi | 7.5 | 7.55 | 7.6 | PDSP Ki database |
α1A | Q9TSW7 | Pig | Adrenoceptors | A | pKi | 6.6 | 7.03 | 7.3 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |