CHEMBL14199
SMILES | COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 |
InChIKey | MOYXTVNKHXOQKG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 476.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 8.9 | 8.9 | 8.9 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.02 | 8.02 | 8.02 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.07 | 8.07 | 8.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |