| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | BO76JF850N |
Structure
| InChI Key | HOOSGZJRQIVJSZ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H26NO3+ |
| Molecular Weight | 352.45 |
| AlogP | 2.7 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 46.53 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 2.34 | |
|
Enzyme
Transferase
|
- | - | - | - | 18.17 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 95170 |
| ChEMBL | CHEMBL620 |
| DrugBank | DB00771 |
| DrugCentral | 676 |
| EPA CompTox | DTXSID6045379 |
| FDA SRS | BO76JF850N |
| Guide to Pharmacology | 366 |
| KEGG | C07853 |
| PharmGKB | PA164781044 |
| PubChem | 2784 |
| SureChEMBL | SCHEMBL14095206 |
CONTENTS