CHEMBL302203
SMILES | COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)cccc4c3=O)C[C@@H]21 |
InChIKey | KKPIEWMOXUDHDQ-HNAYVOBHSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 421.2 |
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 | 8.64 | 8.64 | 8.64 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 8.94 | 8.94 | 8.94 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 9.07 | 9.07 | 9.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |