STAVUDINE

/static/temp/default.svg Search structure
Trade Names
Synonyms
D4T
d4T
Status
Molecule Category Free-form
ATC J05AF04
UNII BO9LE4QFZF
EPA CompTox DTXSID1023819

Structure

InChI Key XNKLLVCARDGLGL-JGVFFNPUSA-N
Smiles Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O
InChI
InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12N2O4
Molecular Weight 224.22
AlogP -0.71
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 84.32
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Human immunodeficiency virus type 1 reverse transcriptase inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
50-500 60 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
9-800 20-600 - - -
Human immunodeficiency virus
770 - - - -
Human immunodeficiency virus 1
60-940 60-400 - - 50-50
Human immunodeficiency virus 2
100-790 - - - -
Human immunodeficiency virus type 1
220-310 450 - - -
Human immunodeficiency virus type 2 (ISOLATE ROD)
580-750 400 - - -
Mycobacterium tuberculosis
- - - - 0

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
South Africa

Cross References

Resources Reference
ChEBI 63581
ChEMBL CHEMBL991
DrugBank DB00649
DrugCentral 2478
FDA SRS BO9LE4QFZF
Human Metabolome Database HMDB0014787
KEGG C07312
PharmGKB PA451494
PubChem 18283
SureChEMBL SCHEMBL38661
ZINC ZINC000000137884
CONTENTS