CHEMBL1945039
SMILES | COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |
InChIKey | VKCKAMBPNXKGHL-QFIPXVFZSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 5 |
Rotatable bonds | 11 |
Molecular weight (Da) | 479.2 |
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 |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pEC50 | 9.3 | 9.3 | 9.3 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 6.7 | 6.7 | 6.7 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pEC50 | 6.9 | 6.9 | 6.9 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.2 | 7.2 | 7.2 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 7.3 | 7.3 | 7.3 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 9.2 | 9.2 | 9.2 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 8.2 | 8.2 | 8.2 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.6 | 6.6 | 6.6 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |