| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | G02CB01 N04BC01 |
| UNII | 3A64E3G5ZO |
| EPA CompTox | DTXSID1022687 |
| InChI Key | OZVBMTJYIDMWIL-AYFBDAFISA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C32H40BrN5O5 |
| Molecular Weight | 654.61 |
| AlogP | 3.19 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 118.21 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 43.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 30 | |
|
Ion channel
Other ion channel
Pore-forming toxins (proteins and peptides)
|
- | - | - | - | 12.3 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
- | 514-514 | - | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | 27.9-27.9 | 4-17 | 10-87 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | - | - | 24 | - |
| Resources | Reference |
|---|---|
| ChEBI | 3181 |
| ChEMBL | CHEMBL493 |
| DrugBank | DB01200 |
| DrugCentral | 403 |
| FDA SRS | 3A64E3G5ZO |
| Human Metabolome Database | HMDB0015331 |
| Guide to Pharmacology | 35 |
| KEGG | C06856 |
| PDB | 08Y |
| PharmGKB | PA448671 |
| PubChem | 31101 |
| SureChEMBL | SCHEMBL25297 |
| ZINC | ZINC000053683151 |