AZARIBINE

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Synonyms
Status
Molecule Category Free-form
UNII K1U80DO9EB
EPA CompTox DTXSID1022635

Structure

InChI Key QQOBRRFOVWGIMD-OJAKKHQRSA-N
Smiles CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChI
InChI=1S/C14H17N3O9/c1-6(18)23-5-9-11(24-7(2)19)12(25-8(3)20)13(26-9)17-14(22)16-10(21)4-15-17/h4,9,11-13H,5H2,1-3H3,(H,16,21,22)/t9-,11-,12-,13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H17N3O9
Molecular Weight 371.3
AlogP -1.74
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 155.88
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Uridine 5'-monophosphate synthase inhibitor INHIBITOR PubMed PubMed PubMed

Cross References

Resources Reference
ChEBI 88272
ChEMBL CHEMBL515914
DrugCentral 27
FDA SRS K1U80DO9EB
PubChem 16574
SureChEMBL SCHEMBL117540
ZINC ZINC000004214908
CONTENTS