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
CAS NUMBER 606-17-7
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