| Synonyms: | |
| Status: | Approved (1960) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | C02CC02 |
| UNII: | ZTI6C33Q2Q |
Structure
| InChI Key | ACGDKVXYNVEAGU-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H22N4 |
| Molecular Weight | 198.31 |
| AlogP | 0.53 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 67.64 |
| Molecular species | BASE |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 14.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 0.783 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -16.19-4.97 |
Indications
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 5557 |
| ChEMBL | CHEMBL765 |
| DrugBank | DB01170 |
| DrugCentral | 1342 |
| EPA CompTox | DTXSID5023116 |
| FDA SRS | ZTI6C33Q2Q |
| Human Metabolome Database | HMDB15301 |
| Guide to Pharmacology | 7194 |
| KEGG | C07036 |
| PharmGKB | PA449823 |
| PubChem | 3518 |
| SureChEMBL | SCHEMBL34753 |
| ZINC | ZINC000001530648 |
CONTENTS