CHEMBL3343977
SMILES | Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1 |
InChIKey | ZEJCAUGJSXGWIE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 342.2 |
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 | 7.32 | 7.32 | 7.32 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.69 | 6.69 | 6.69 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.92 | 6.92 | 6.92 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.46 | 5.46 | 5.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |