Molecule Details
| InChIKey | RJMUSRYZPJIFPJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Niclosamide |
| Canonical SMILES | O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.91 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06803 |
|---|---|
| Drug Name | Niclosamide |
| CAS Number | 50-65-7 |
| Groups | approved investigational vet_approved |
| ATC Codes | P02DA01 |
| Description | Niclosamide is an antihelminthic used for the treatment of tapeworm infections. Helminths (worms) are multicellular organisms that infect very large numbers of humans and cause a broad range of diseases. Over 1 billion people are infected with intestinal nematodes, and many millions are infected wit... |
Categories: Agrochemicals Amides Amines Anilides Aniline Compounds Anthelmintics Anti-Infective Agents Anticestodal Agents Anticestodals Antinematodal Agents Antiparasitic Agents Antiparasitic Products, Insecticides and Repellents Antiplatyhelmintic Agents Compounds used in a research, industrial, or household setting Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Molluscacides Pesticides Salicylamides Salicylanilide and Derivatives Salicylic Acid Derivatives Toxic Actions
Cross-references: BindingDB: 11242 ChEBI: 7553 CHEMBL1448 ChemSpider: 4322 D00436 PDB: VUT PharmGKB: PA165958408 PubChem:4477 PubChem:99443295 RxCUI: 7402 Wikipedia: Niclosamide ZINC: ZINC000003874496
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q5XXA6 | ANO1 | Homo sapiens | Human | PF16178 PF04547 | 7.5 | IC50 | ChEMBL;BindingDB |
| P40763 | STAT3 | Homo sapiens | Human | PF00017 PF01017 PF02864 PF02865 PF21354 | 6.6 | IC50 | ChEMBL;BindingDB |
| P0DTD1 | rep | Severe acute respiratory syndrome coronavirus 2 | Pathogen | PF13087 PF16251 PF11501 PF12379 PF12124 PF11633 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF05409 PF00680 | 6.5 | IC50 | ChEMBL;BindingDB |