Synonyms | |
Status | |
Molecule Category | Free-form |
ATC | C10AX01 |
UNII | 4W9K63FION |
EPA CompTox | DTXSID60199000 |
InChI Key | XUIIKFGFIJCVMT-GFCCVEGCSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C15H11I4NO4 | |
Molecular Weight | 776.87 | |
AlogP | 4.56 | |
Hydrogen Bond Acceptor | 4.0 | |
Hydrogen Bond Donor | 3.0 | |
Number of Rotational Bond | 5.0 | |
Polar Surface Area | 92.78 | |
Molecular species | ZWITTERION | |
Aromatic Rings | 2.0 | |
Heavy Atoms | 24.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Ion channel
Ligand-gated ion channel
Ionotropic glutamate receptor
NMDA receptor
|
- | 330 | - | - | - | ||
Secreted protein
|
- | 7170 | - | - | 75 | ||
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 1
Nuclear hormone receptor subfamily 1 group A
Nuclear hormone receptor subfamily 1 group A member 2
|
- | 35-2500 | - | - | - |
Resources | Reference | |
---|---|---|
ChEBI | 30659 | |
ChEMBL | CHEMBL559 | |
DrugBank | DB00509 | |
DrugCentral | 846 | |
FDA SRS | 4W9K63FION | |
Human Metabolome Database | HMDB0014651 | |
Guide to Pharmacology | 6951 | |
SureChEMBL | SCHEMBL61194 | |
ZINC | ZINC000003830994 |