| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 3GVJ31T6YY |
Structure
| InChI Key | LGLFFNDHMLKUMI-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C25H30N3+ |
| Molecular Weight | 372.54 |
| AlogP | 4.46 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 9.49 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 28.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
|
- | 350 | - | - | - |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 77181 |
| ChEMBL | CHEMBL459265 |
| DrugBank | DB00406 |
| DrugCentral | 4138 |
| EPA CompTox | DTXSID10873000 |
| FDA SRS | 3GVJ31T6YY |
| Human Metabolome Database | HMDB0014550 |
| PDB | CVI |
| PharmGKB | PA449755 |
| SureChEMBL | SCHEMBL94116 |
| ZINC | ZINC000013763987 |
CONTENTS