TENOFOVIR DISOPROXIL FUMARATE

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Trade Names
Synonyms
Status
Molecule Category Mixture
UNII OTT9J7900I

Structure

InChI Key VCMJCVGFSROFHV-WZGZYPNHSA-N
Smiles CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/C19H30N5O10P.C4H4O4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H34N5O14P
Molecular Weight 635.52
AlogP 3.04
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 13.0
Polar Surface Area 185.44
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Human immunodeficiency virus type 1 reverse transcriptase inhibitor INHIBITOR DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Hepatitis B virus
13.79-340 850 - - -
Human immunodeficiency virus 1
2.9-120 14-540 - - -

Cross References

Resources Reference
ChEBI 63718
ChEMBL CHEMBL1486
FDA SRS OTT9J7900I
PubChem 6398764
SureChEMBL SCHEMBL40021
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