ARFORMOTEROL
SMILES | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |
InChIKey | BPZSYCZIITTYBL-YJYMSZOUSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 9 |
Molecular weight (Da) | 344.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.77 | 6.99 | 8.21 | PDSP Ki database |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.59 | 7.11 | 8.11 | PDSP Ki database |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 5.09 | 6.67 | 8.26 | PDSP Ki database |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
β1 | ADRB1 | Human | Adrenoceptors | A | pKd | 8.16 | 8.16 | 8.16 | Drug Central |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.31 | 8.31 | 8.31 | Drug Central |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 8.07 | 8.07 | 8.07 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pEC50 | 9.5 | 9.8 | 9.9 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 7.6 | 7.6 | 7.6 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.96 | 7.29 | 7.4 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 8.58 | 9.2 | 9.5 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.12 | 8.12 | 8.12 | Drug Central |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pEC50 | 8.0 | 8.03 | 8.06 | Drug Central |