CENSAVUDINE

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Synonyms
Status
Molecule Category Free-form
UNII 6IE83O6NGA
EPA CompTox DTXSID50212893

Structure

InChI Key OSYWBJSVKUFFSU-SKDRFNHKSA-N
Smiles C#C[C@@]1(CO)C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1
InChI
InChI=1S/C12H12N2O4/c1-3-12(7-15)5-4-9(18-12)14-6-8(2)10(16)13-11(14)17/h1,4-6,9,15H,7H2,2H3,(H,13,16,17)/t9-,12+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H12N2O4
Molecular Weight 248.24
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 18.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Human immunodeficiency virus 1
60-250 200-250 - - 50-50

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL124363
DrugBank DB12074
FDA SRS 6IE83O6NGA
PubChem 3008897
SureChEMBL SCHEMBL1036816
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