DICHLOROISOPROTERENOL
SMILES | CC(C)NCC(O)c1ccc(Cl)c(Cl)c1 |
InChIKey | VKMGSWIFEHZQRS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 247.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | β2 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Bovine | Adrenoceptors | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 7.29 | 7.29 | 7.29 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.0 | 7.0 | 7.0 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Bovine | Adrenoceptors | A | pIC50 | 6.01 | 6.01 | 6.01 | ChEMBL |
β1 | ADRB1 | Rat | Adrenoceptors | A | pIC50 | 6.94 | 6.94 | 6.94 | ChEMBL |
β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pIC50 | 6.94 | 6.94 | 6.94 | ChEMBL |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pIC50 | 6.01 | 6.01 | 6.01 | ChEMBL |