TETRAHYDROURIDINE

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Synonyms
Status
Molecule Category Free-form
UNII 0NIZ8H6OL8

Structure

InChI Key UCKYOOZPSJFJIZ-FMDGEEDCSA-N
Smiles O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI
InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16N2O6
Molecular Weight 248.24
AlogP -2.84
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 122.49
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 340 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 340 - - -

Cross References

Resources Reference
ChEMBL CHEMBL1236475
FDA SRS 0NIZ8H6OL8
PDB TYU
PubChem 29243
SureChEMBL SCHEMBL172272
ZINC ZINC000001703948
CONTENTS