CHEMBL58585
SMILES | COc1cc2c(cc1OC)NC(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)C2 |
InChIKey | HJYOVHVIYFAHDI-OXJNMPFZSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 437.2 |
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 | 6.77 | 6.77 | 6.77 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.72 | 6.72 | 6.72 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.91 | 6.91 | 6.91 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |