CHEMBL3128185
SMILES | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 |
InChIKey | AHGPIPADZZLPDD-XVOBZGQLSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 528.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 4.88 | 4.88 | 4.88 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 5.61 | 5.61 | 5.61 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.06 | 8.06 | 8.06 | ChEMBL |