niclosamide   Click here for help

GtoPdb Ligand ID: 8494

Synonyms: VU0243604
Approved drug PDB Ligand
niclosamide is an approved drug
Compound class: Synthetic organic
Comment: Niclosamide is an oral anthelmintic drug but may have the potential to be used in broader clinical applications. Evidence from repurposing studies suggests some activity against methicillin-resistant Staphylococcus aureus (MRSA), and Zika virus (in vitro) [3].
It is a STAT3 inhibitor, inhibits mTORC1 signaling; positive allosteric modulator (PAM) of the neuropeptide Y4 receptor [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 92.47
Molecular weight 325.99
XLogP 4.15
No. Lipinski's rules broken 0
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Canonical SMILES Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O
Isomeric SMILES Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O
InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
WHO Essential Medicine WHO Essential Medicines List (EML) (23rd List, 2023). Access PDF version.
Click to view more information about the WHO Model Lists of Essential Medicines.
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Specialist databases
Antibiotic DB Antibiotic DB Database logo Niclosamide
Other databases
DrugCentral Ligand 1912
GtoPdb PubChem SID 252166702
PubChem CID 4477
Search Google for chemical match using the InChIKey RJMUSRYZPJIFPJ-UHFFFAOYSA-N
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Niclosamide (links to external site)
Cat. No. 4079