CHEMBL61483
SMILES | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(-c5ccccc5)csc4c3=O)C[C@@H]21 |
InChIKey | VMZJRPSZTYTUEY-GHTZIAJQSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 473.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 9.18 | 9.18 | 9.18 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.48 | 9.48 | 9.48 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 9.48 | 9.48 | 9.48 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |