CHEMBL100589
SMILES | CC(C)N(Cc1cc(F)ccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 |
InChIKey | LSHLFPZRBGUDCA-HKBQPEDESA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 5 |
Rotatable bonds | 13 |
Molecular weight (Da) | 709.2 |
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 |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 7.57 | 7.57 | 7.57 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.92 | 7.92 | 7.92 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 5.2 | 5.2 | 5.2 | ChEMBL |