FORODESINE

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Synonyms
Status
Molecule Category Free-form
UNII 426X066ELK

Structure

InChI Key IWKXDMQDITUYRK-KUBHLMPHSA-N
Smiles O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12
InChI
InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14N4O4
Molecular Weight 266.26
AlogP -2.02
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 134.26
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 3.5-100 0.023-0.056 0.023-72 -
Enzyme
- 3.5-100 0.023-0.056 0.023-72 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - 0.023 0.023-41 -
Crithidia fasciculata
- - - 42 -
Homo sapiens
- 3.5-100 0.056 0.056-72 -
Plasmodium falciparum
- 63 - 0.6-29 -
Trypanosoma brucei
- - - 24 -
Trypanosoma brucei brucei
- - - 9-24 -
Trypanosoma vivax
- - - 6.2 -

Cross References

Resources Reference
ChEBI 43362
ChEMBL CHEMBL218291
DrugBank DB06185
DrugCentral 5229
FDA SRS 426X066ELK
Guide to Pharmacology 8272
PDB IMH
SureChEMBL SCHEMBL16321929
ZINC ZINC000013492899
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