EMTRICITABINE

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Trade Names
Synonyms
FTC
Status
Molecule Category Free-form
ATC J05AF09
UNII ULS8902U4O
EPA CompTox DTXSID0040129

Structure

InChI Key XQSPYNMVSIKCOC-NTSWFWBYSA-N
Smiles Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F
InChI
InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10FN3O3S
Molecular Weight 247.25
AlogP -0.46
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 90.37
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Human immunodeficiency virus type 1 reverse transcriptase inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 6.4-20.7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Hepatitis B virus
100 - - - -
Homo sapiens
30 - - - 6.4-20.7
Human immunodeficiency virus
1.3-5.5 - - - -
Human immunodeficiency virus 1
2.1-890 1-170 - - -
Human immunodeficiency virus type 1
16-46 - - - -
Human immunodeficiency virus type 2 (ISOLATE ROD)
500 - - - -

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Germany

Cross References

Resources Reference
ChEBI 31536
ChEMBL CHEMBL885
DrugBank DB00879
DrugCentral 1003
FDA SRS ULS8902U4O
Human Metabolome Database HMDB0015017
Guide to Pharmacology 11244
KEGG C12599
PDB ETV
PharmGKB PA10069
PubChem 60877
SureChEMBL SCHEMBL39708
ZINC ZINC000003629271
CONTENTS