emtricitabine   Click here for help

GtoPdb Ligand ID: 11244

Abbreviated name: FTC
Synonyms: 524W91 | BW-524W91 | Coviracil® | Emtriva®
Approved drug PDB Ligand
emtricitabine is an approved drug (EMA & FDA (2003))
Compound class: Synthetic organic
Comment: Emtricitabine is a nucleoside reverse transcriptase inhibitor (NRTI) antiretroviral compound.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 115.67
Molecular weight 247.04
XLogP 0.28
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1nc(=O)n(cc1F)[C@@H]1CS[C@@H](O1)CO
Isomeric SMILES Nc1nc(=O)n(cc1F)[C@@H]1CS[C@@H](O1)CO
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
InChI Key XQSPYNMVSIKCOC-NTSWFWBYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA & FDA (2003))
WHO Essential Medicine WHO Essential Medicines List (EML) (22nd List, 2021). Access PDF version.
Click to view more information about the WHO Model Lists of Essential Medicines.
IUPAC Name Click here for help
4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
International Nonproprietary Names Click here for help
INN number INN
7822 emtricitabine
Synonyms Click here for help
524W91 | BW-524W91 | Coviracil® | Emtriva®
Database Links Click here for help
CAS Registry No. 143491-57-0 (source: Scifinder)
ChEBI CHEBI:31536
ChEMBL Ligand CHEMBL885
DrugCentral Ligand 1003
GtoPdb PubChem SID 434122304
PubChem CID 60877
RCSB PDB Ligand ETV
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UniChem Compound Search for chemical match using the InChIKey XQSPYNMVSIKCOC-NTSWFWBYSA-N
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Wikipedia Emtricitabine