CHEMBL101610
SMILES | Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2 |
InChIKey | KVIRFFFBTUTUIZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 545.2 |
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 | Human | Adrenoceptors | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.0 | 8.58 | 9.16 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |