ABANOQUIL
SMILES | COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 |
InChIKey | ANZIISNSHPKVRV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 395.2 |
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 |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 10.52 | 10.52 | 10.52 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 10.52 | 10.52 | 10.52 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.96 | 10.03 | 10.1 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 10.4 | 10.4 | 10.4 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 10.4 | 10.4 | 10.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |