| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | GZ8VF4M2J8 |
Structure
| InChI Key | OFEZSBMBBKLLBJ-BAJZRUMYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H13N5O3 |
| Molecular Weight | 251.25 |
| AlogP | -0.95 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 119.31 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | 22000 | - | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Nucleotide-like receptor (family A GPCR)
Adenosine receptor
|
- | - | - | 7120-15200 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Leukemia | 1 | D007938 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 73-03-0 |
| ChEBI | 29014 |
| ChEMBL | CHEMBL305686 |
| DrugBank | DB12156 |
| EPA CompTox | DTXSID1041007 |
| FDA SRS | GZ8VF4M2J8 |
| Guide to Pharmacology | 4630 |
| KEGG | C08431 |
| PDB | 3AD |
| PubChem | 6303 |
| SureChEMBL | SCHEMBL98323 |
| ZINC | ZINC000001319796 |
CONTENTS