| Synonyms: | |
| Status: | Approved (1984) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | J01DD04 |
| UNII: | 75J73V1629 |
Structure
| InChI Key | VAAUVRVFOQPIGI-SPQHTLEESA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H18N8O7S3 |
| Molecular Weight | 554.59 |
| AlogP | -1.2 |
| Hydrogen Bond Acceptor | 15.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 215.22 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 36.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 10000 | - | - | - | |
|
Enzyme
|
- | 10000 | - | - | - | |
|
Unclassified protein
|
- | - | 530 | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Amyotrophic Lateral Sclerosis | 3 | D000690 | ClinicalTrials |
| Infections | 3 | D007239 | ClinicalTrials |
| Pneumonia, Bacterial | 3 | D018410 | ClinicalTrials |
| Urinary Tract Infections | 3 | D014552 | ClinicalTrials |
| Pneumonia | 3 | D011014 | ClinicalTrials |
| Gonorrhea | 3 | D006069 | ClinicalTrials |
| Sepsis | 3 | D018805 | ClinicalTrials |
| Lyme Disease | 3 | D008193 | ClinicalTrials |
| Peritonitis | 3 | D010538 | ClinicalTrials |
| Pyelonephritis | 3 | D011704 | ClinicalTrials |
| Endometritis | 2 | D004716 | ClinicalTrials |
| Pelvic Inflammatory Disease | 2 | D000292 | ClinicalTrials |
| Cholangitis | 2 | D002761 | ClinicalTrials |
| Colitis, Ulcerative | 2 | D003093 | ClinicalTrials |
| Bipolar Disorder | 2 | D001714 | ClinicalTrials |
| Malnutrition | 2 | D044342 | ClinicalTrials |
| Parkinson Disease | 2 | D010300 | ClinicalTrials |
| Schizophrenia | 1 | D012559 | ClinicalTrials |
| Psychotic Disorders | 1 | D011618 | ClinicalTrials |
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 73384-59-5 |
| ChEBI | 29007 |
| ChEMBL | CHEMBL161 |
| DrugBank | DB01212 |
| DrugCentral | 564 |
| EPA CompTox | DTXSID0022773 |
| FDA SRS | 75J73V1629 |
| Human Metabolome Database | HMDB0015343 |
| Guide to Pharmacology | 5326 |
| KEGG | C06683 |
| PharmGKB | PA448866 |
| PubChem | 5479530 |
| SureChEMBL | SCHEMBL23354 |
| ZINC | ZINC000028467879 |
CONTENTS