CHEMBL58862
SMILES | COc1cc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)n(C)c2cc1OC |
InChIKey | UEDODQFERYKFQS-OXJNMPFZSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 465.2 |
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 |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 8.43 | 8.43 | 8.43 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.48 | 8.48 | 8.48 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 9.6 | 9.6 | 9.6 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |