CHEMBL423018
SMILES | COc1cc2nc3c(c(N)c2cc1OC)CC(CNC(=O)c1ccco1)C3 |
InChIKey | XFNOYNVDQOQPCY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 367.2 |
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 | 7.1 | 7.1 | 7.1 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |