Synonyms: | |
Status: | Approved (1964) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
UNII: | 17EC19951N |
InChI Key | YJQPYGGHQPGBLI-KGSXXDOSSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C31H36N2O11 |
Molecular Weight | 612.63 |
AlogP | 3.63 |
Hydrogen Bond Acceptor | 11.0 |
Hydrogen Bond Donor | 5.0 |
Number of Rotational Bond | 8.0 |
Polar Surface Area | 200.01 |
Molecular species | ACID |
Aromatic Rings | 3.0 |
Heavy Atoms | 44.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Isomerase
|
- | 10-125 | 7-28 | 10 | 14-77 | |
Enzyme
Protease
Metallo protease
Metallo protease MAE clan
Metallo protease M2 family
|
- | - | - | - | 75 | |
Secreted protein
|
- | - | 12000 | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 58 | |
Transporter
Primary active transporter
ATP-binding cassette
ABCG subfamily
|
- | 66069-85100 | - | - | - | |
Unclassified protein
|
24800 | 14200 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Osteomyelitis | 0 | D010019 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 28368 |
ChEMBL | CHEMBL36506 |
DrugBank | DB01051 |
DrugCentral | 1974 |
EPA CompTox | DTXSID3041083 |
FDA SRS | 17EC19951N |
Human Metabolome Database | HMDB0015185 |
KEGG | C05080 |
PDB | NOV |
PubChem | 54675769 |
SureChEMBL | SCHEMBL24805 |
ZINC | ZINC000014879999 |