Synonyms
Status
Molecule Category Free-form
UNII TKQ858A3VW
EPA CompTox DTXSID6023153

Structure

InChI Key FFINMCNLQNTKLU-UHFFFAOYSA-N
Smiles O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I
InChI
InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H14I6N2O6
Molecular Weight 1139.76

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 60.87-90.55
Oryctolagus cuniculus
- - - - 15.9

Related Entries

Cross References

Resources Reference
ChEBI 31176
ChEMBL CHEMBL1165268
DrugBank DB04711
DrugCentral 1455
FDA SRS TKQ858A3VW
Human Metabolome Database HMDB0015581
Guide to Pharmacology 7400
PDB IDB
PharmGKB PA164745532
PubChem 3739
SureChEMBL SCHEMBL37678