niclosamide   Click here for help

GtoPdb Ligand ID: 8494

Synonyms: VU0243604
Approved drug
niclosamide is an approved drug
Compound class: Synthetic organic
Comment: STAT3 inhibitor; inhibits mTORC1 signaling; positive allosteric modulator (PAM) of the neuropeptide Y4 receptor [2].

Evidence from repurposing studies suggests some activity against methicillin-resistant Staphylococcus aureus (MRSA), and Zika virus (in vitro) [3].
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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
SMILES / InChI / InChIKey
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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)
InChI Key RJMUSRYZPJIFPJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
Synonyms Click here for help
VU0243604
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo 1323
Other databases
DrugCentral Ligand 1912
GtoPdb PubChem SID 252166702
PubChem CID 4477
Search Google for chemical match using the InChIKey RJMUSRYZPJIFPJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RJMUSRYZPJIFPJ
Search UniChem for chemical match using the InChIKey RJMUSRYZPJIFPJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RJMUSRYZPJIFPJ

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Tocris
Niclosamide
Cat. No. 4079