IDOXURIDINE

Search structure
Trade Names:
Synonyms:
IDU
Status: Approved (1963)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D06BB01
UNII: LGP81V5245

Structure
InChI Key XQFRJNBWHJMXHO-RRKCRQDMSA-N
Smile O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I
InChI
InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11IN2O5
Molecular Weight 354.1
AlogP -1.22
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 104.55
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 1500 - 90 31

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia 2 D007938 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 54-42-2
ChEBI 147675
ChEMBL CHEMBL788
DrugBank DB00249
DrugCentral 1417
EPA CompTox DTXSID2045238
FDA SRS LGP81V5245
Human Metabolome Database HMDB0014394
KEGG D00342
PDB ID2
PharmGKB PA164781019
PubChem 5905
SureChEMBL SCHEMBL3683
ZINC ZINC000003834173
CONTENTS