CHEMBL301707
SMILES | COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c([nH]c4ccccc43)c2=O)CC1 |
InChIKey | AQASGOHUMGAWJJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 419.2 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.74 | 8.74 | 8.74 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 9.68 | 9.68 | 9.68 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.44 | 9.44 | 9.44 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.54 | 9.56 | 9.57 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |