Synonyms: | |
Status: | Approved (1978) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | J01DC01 |
UNII: | 6OEV9DX57Y |
InChI Key | WZOZEZRFJCJXNZ-ZBFHGGJFSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C16H17N3O7S2 |
Molecular Weight | 427.46 |
AlogP | 0.1 |
Hydrogen Bond Acceptor | 8.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 7.0 |
Polar Surface Area | 148.26 |
Molecular species | ACID |
Aromatic Rings | 1.0 |
Heavy Atoms | 28.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | - | - | 100 | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 57000 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Pancreatic Neoplasms | 3 | D010190 | ClinicalTrials |
Osteomyelitis | 0 | D010019 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 35607-66-0 |
ChEBI | 209807 |
ChEMBL | CHEMBL996 |
DrugBank | DB01331 |
DrugCentral | 550 |
EPA CompTox | DTXSID1022764 |
FDA SRS | 6OEV9DX57Y |
Human Metabolome Database | HMDB0015426 |
Guide to Pharmacology | 10937 |
KEGG | C06887 |
PDB | CFX |
PharmGKB | PA448856 |
PubChem | 441199 |
SureChEMBL | SCHEMBL15971 |
ZINC | ZINC000003830449 |