| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 8J337D1HZY |
Structure
| InChI Key | OPTASPLRGRRNAP-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5N3O |
| Molecular Weight | 111.1 |
| AlogP | -0.65 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 71.77 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 8.0 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Precursor Cell Lymphoblastic Leukemia-Lymphoma | 2 | D054198 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 1 | D015470 | ClinicalTrials |
| Leukemia, Myelogenous, Chronic, BCR-ABL Positive | 1 | D015464 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 16040 |
| ChEMBL | CHEMBL15913 |
| EPA CompTox | DTXSID4044456 |
| FDA SRS | 8J337D1HZY |
| Human Metabolome Database | HMDB0000630 |
| Guide to Pharmacology | 8490 |
| KEGG | C00380 |
| PDB | CYT |
| PubChem | 597 |
| SureChEMBL | SCHEMBL4059 |
| ZINC | ZINC000000895210 |
CONTENTS