CHEMBL73917
SMILES | COc1cc(CC2NCCc3nc(N)sc32)cc(OC)c1OC |
InChIKey | WCLVWYZGFNFOGA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 335.1 |
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 |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 4.17 | 4.17 | 4.17 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.21 | 5.21 | 5.21 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |