CHEMBL25300
SMILES | COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C |
InChIKey | VXLRYJNESHCVDX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 401.3 |
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 | 8.9 | 8.9 | 8.9 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.9 | 8.9 | 8.9 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.4 | 9.4 | 9.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |