| Synonyms: | |
| Status: | Approved (1939) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | JU58VJ6Y3B |
Structure
| InChI Key | ZRALSGWEFCBTJO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | CH5N3 |
| Molecular Weight | 59.07 |
| AlogP | -1.16 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 75.89 |
| Molecular species | BASE |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 4.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 100 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neuroendocrine Tumors | 3 | D018358 | ClinicalTrials |
| Neoplasm Metastasis | 3 | D009362 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 42820 |
| ChEMBL | CHEMBL821 |
| DrugBank | DB00536 |
| DrugCentral | 1344 |
| EPA CompTox | DTXSID0023117 |
| FDA SRS | JU58VJ6Y3B |
| Human Metabolome Database | HMDB0001842 |
| Guide to Pharmacology | 4783 |
| PDB | GAI |
| PharmGKB | PA164781028 |
| PubChem | 3520 |
| SureChEMBL | SCHEMBL2003 |
| ZINC | ZINC000008101126 |
CONTENTS