ULODESINE

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Synonyms
Status
Molecule Category Free-form
UNII JNG8L9460Y
EPA CompTox DTXSID00203332

Structure

InChI Key AFNHHLILYQEHKK-BDAKNGLRSA-N
Smiles O=c1[nH]cnc2c(CN3C[C@H](CO)[C@@H](O)C3)c[nH]c12
InChI
InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H16N4O3
Molecular Weight 264.29
AlogP -0.96
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 105.24
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - 0.0085-1.1 -
Enzyme
- - - 0.0085-1.1 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - 0.1 -
Homo sapiens
- - - 0.0085-1.1 -
Plasmodium falciparum
- - - 0.5-0.5 -
Plasmodium falciparum 3D7
- - - 0.5 -

Cross References

Resources Reference
ChEMBL CHEMBL269864
DrugBank DB12353
FDA SRS JNG8L9460Y
PubChem 135449518
SureChEMBL SCHEMBL474735
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