| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1951) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 263T0E9RR9 |
Structure
| InChI Key | KSCFJBIXMNOVSH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H14N4O4 |
| Molecular Weight | 254.25 |
| AlogP | -2.21 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 102.28 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
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
|
- | - | - | - | 93 |
Indications
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 479-18-5 |
| ChEBI | 4728 |
| ChEMBL | CHEMBL1752 |
| DrugBank | DB00651 |
| DrugCentral | 976 |
| EPA CompTox | DTXSID6022975 |
| FDA SRS | 263T0E9RR9 |
| Human Metabolome Database | HMDB0014789 |
| Guide to Pharmacology | 7070 |
| KEGG | C07819 |
| PharmGKB | PA164748027 |
| PubChem | 3182 |
| SureChEMBL | SCHEMBL8192 |
| ZINC | ZINC00057147 |
CONTENTS