CHEMBL99361
SMILES | NCC1OCCc2c1ccc(O)c2O |
InChIKey | JBSRTZUQAXYSQB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 1 |
Molecular weight (Da) | 195.1 |
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 |
β2 | ADRB2 | Bovine | Adrenoceptors | A | pKi | 4.3 | 4.3 | 4.3 | ChEMBL |
β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 4.39 | 4.39 | 4.39 | ChEMBL |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.99 | 5.99 | 5.99 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.34 | 5.34 | 5.34 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pIC50 | 4.18 | 4.18 | 4.18 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pEC50 | 5.54 | 5.54 | 5.54 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pEC50 | 6.31 | 6.31 | 6.31 | ChEMBL |