| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | M03AC02 |
| UNII: | 1146X1WTNM |
Structure
| InChI Key | OZLPUNFFCJDMJD-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C30H60N3O3+3 |
| Molecular Weight | 510.83 |
| AlogP | 5.45 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 21.0 |
| Polar Surface Area | 27.69 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 36.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 2110000 | - | 15000 | 10.49 | |
|
Enzyme
Transferase
|
- | - | - | - | 73.2 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | 7-9.8 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Acetylcholine receptor
|
130-131.83 | - | - | 8511.38 | - |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 94609 |
| ChEMBL | CHEMBL360055 |
| DrugCentral | 1273 |
| EPA CompTox | DTXSID5048392 |
| FDA SRS | 1146X1WTNM |
| Human Metabolome Database | HMDB0014626 |
| Guide to Pharmacology | 356 |
| PDB | GMN |
| PubChem | 3450 |
| SureChEMBL | SCHEMBL12638600 |
| ZINC | ZINC000003830882 |
CONTENTS