STAVUDINE

Search structure
Trade Names:
Synonyms:
d4T
D4T
Status: Approved (1994)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J05AF04
UNII: BO9LE4QFZF

Structure
InChI Key XNKLLVCARDGLGL-JGVFFNPUSA-N
Smile 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

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Human immunodeficiency virus type 1 reverse transcriptase inhibitor FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
50-500 60-9600 - - -
Secreted protein
- - 44000 - -

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acquired Immunodeficiency Syndrome 3 D000163 ClinicalTrials
AIDS Dementia Complex 3 D015526 ClinicalTrials
AIDS-Associated Nephropathy 3 D016263 ClinicalTrials
Acidosis, Lactic 2 D000140 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture
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Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Pregnancy, puerperium and perinatal conditions
20.83
Injury, poisoning and procedural complications
9.68
Investigations
6.77
Blood and lymphatic system disorders
6.69
Nervous system disorders
6.23
Metabolism and nutrition disorders
6.2
Congenital, familial and genetic disorders
4.4
Hepatobiliary disorders
4.15
Vascular disorders
4.06
General disorders and administration site conditions
3.69
Gastrointestinal disorders
3.51
Infections and infestations
3.23
Respiratory, thoracic and mediastinal disorders
2.56
Surgical and medical procedures
2.55
Cardiac disorders
2.48
Musculoskeletal and connective tissue disorders
2.36
Renal and urinary disorders
2.19

Cross References

Resources Reference
CAS NUMBER 3056-17-5
ChEBI 63581
ChEMBL CHEMBL991
DrugBank DB00649
DrugCentral 2478
EPA CompTox DTXSID1023819
FDA SRS BO9LE4QFZF
Human Metabolome Database HMDB0014787
KEGG C07312
PharmGKB PA451494
PubChem 18283
SureChEMBL SCHEMBL38661
ZINC ZINC000000137884
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