| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A07AX03 |
| UNII: | PM5LI0P38J |
Structure
| InChI Key | YCWSUKQGVSGXJO-NTUHNPAUSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H9N3O5 |
| Molecular Weight | 275.22 |
| AlogP | 1.66 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 117.97 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 20.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Epigenetic regulator
Writer
Protein methyltransferase
SET domain
|
- | - | - | - | 7-18 | |
|
Transcription factor
|
3000 | - | - | - | - | |
|
Unclassified protein
|
- | 19000 | - | - | - |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 135136 |
| ChEMBL | CHEMBL244888 |
| DrugBank | DB13855 |
| DrugCentral | 1928 |
| FDA SRS | PM5LI0P38J |
| PubChem | 5337997 |
| SureChEMBL | SCHEMBL542542 |
| ZINC | ZINC000000001808 |
CONTENTS