Synonyms: | |
Status: | Approved (1985) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | J01DC05 |
UNII: | 48SPP0PA9Q |
InChI Key | SRZNHPXWXCNNDU-IXOPCIAXSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C17H17N7O8S4 |
Molecular Weight | 575.63 |
AlogP | -1.4 |
Hydrogen Bond Acceptor | 14.0 |
Hydrogen Bond Donor | 4.0 |
Number of Rotational Bond | 9.0 |
Polar Surface Area | 219.93 |
Molecular species | ACID |
Aromatic Rings | 1.0 |
Heavy Atoms | 36.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 79000 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Cholecystitis | 1 | D002764 | ClinicalTrials |
Osteomyelitis | 0 | D010019 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 69712-56-7 |
ChEBI | 3499 |
ChEMBL | CHEMBL474579 |
DrugBank | DB01330 |
DrugCentral | 547 |
EPA CompTox | DTXSID1022762 |
FDA SRS | 48SPP0PA9Q |
Human Metabolome Database | HMDB0015425 |
Guide to Pharmacology | 10936 |
KEGG | C06886 |
SureChEMBL | SCHEMBL61376 |