| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | C1CG1S3T2W |
Structure
| InChI Key | MTCUAOILFDZKCO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H38N2+2 |
| Molecular Weight | 258.49 |
| AlogP | 3.52 |
| Hydrogen Bond Acceptor | 0.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 0.0 |
| Molecular species | None |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 18.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 5900 | - | 3500 | 0 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Histamine receptor
|
- | 820 | - | - | - |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 41934 |
| ChEMBL | CHEMBL1190 |
| DrugBank | DB01245 |
| DrugCentral | 789 |
| EPA CompTox | DTXSID5048394 |
| FDA SRS | C1CG1S3T2W |
| Human Metabolome Database | HMDB0015375 |
| KEGG | C11733 |
| PDB | DME |
| PharmGKB | PA164747980 |
| PubChem | 2968 |
| SureChEMBL | SCHEMBL238400 |
| ZINC | ZINC000001532339 |
CONTENTS