| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 21 | No |
Popular Name: Niclosamide Niclosamide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1420-04-8 , 34892-17-6 , 4/8/1420 , 50-65-7 , 97261-80-8 , [1420-04-8] , [34892-17-6] , [50-65-7]
2_,5-Dichloro-4_-nitrosalicylanilide
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide compound with piperazine (1:1)
5-CHLORO-N-(2-CHLORO-4-NITROPHENYL)-SALICYLAMIDE/Niclosamide
50-65-7; D00436; Niclocide (TN); Niclosamide (USAN/INN)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.54 | 6.79 | -7.83 | 2 | 6 | 0 | 95 | 327.123 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.54 | 7.79 | -39.71 | 1 | 6 | -1 | 98 | 326.115 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 7.99e-03 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Therapy | anthelmintic | SMDC Pharmakon |
| Indications | anthelmintic (tapeworm) | KeyOrganics Bioactives |
| therap | anthelmintic, teniacide | MicroSource Spectrum |
| Target | STAT | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| JAK2-1-E | Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.33 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.33 | Binding ≤ 10μM |
| STAT3-1-E | Signal Transducer And Activator Of Transcription 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 250 | 0.44 | Binding ≤ 10μM |
| Z100499-1-O | SARS Coronavirus (cluster #1 Of 2), Other | Other | 100 | 0.47 | Functional ≤ 10μM |
| Z103205-1-O | A431 (cluster #1 Of 4), Other | Other | 8800 | 0.34 | Functional ≤ 10μM |
| Z50380-1-O | Mycobacterium Smegmatis (cluster #1 Of 4), Other | Other | 6850 | 0.34 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 794 | 0.41 | Functional ≤ 10μM |
| Z80125-1-O | DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other | Other | 700 | 0.41 | Functional ≤ 10μM |
| Z80166-4-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #4 Of 12), Other | Other | 7200 | 0.34 | Functional ≤ 10μM |
| Z80211-2-O | LoVo (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other | Other | 700 | 0.41 | Functional ≤ 10μM |
| Z80390-3-O | PC-3 (Prostate Carcinoma Cells) (cluster #3 Of 10), Other | Other | 400 | 0.43 | Functional ≤ 10μM |
| Z80682-2-O | A549 (Lung Carcinoma Cells) (cluster #2 Of 11), Other | Other | 400 | 0.43 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 1400 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| STAT3_HUMAN | P40763 | Signal Transducer And Activator Of Transcription 3, Human | 250 | 0.44 | Binding ≤ 1μM |
| STAT3_HUMAN | P40763 | Signal Transducer And Activator Of Transcription 3, Human | 250 | 0.44 | Binding ≤ 10μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 10000 | 0.33 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 10000 | 0.33 | Binding ≤ 10μM |
| Z103205 | Z103205 | A431 | 8800 | 0.34 | Functional ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 3000 | 0.37 | Functional ≤ 10μM |
| Z80125 | Z80125 | DU-145 (Prostate Carcinoma) | 700 | 0.41 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 1400 | 0.39 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 7200 | 0.34 | Functional ≤ 10μM |
| Z80211 | Z80211 | LoVo (Colon Adenocarcinoma Cells) | 700 | 0.41 | Functional ≤ 10μM |
| Z50380 | Z50380 | Mycobacterium Smegmatis | 3310 | 0.37 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 400 | 0.43 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 0.56 | 0.62 | Functional ≤ 10μM |
| Z100499 | Z100499 | SARS Coronavirus | 100 | 0.47 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Downstream signal transduction | |
| Factors involved in megakaryocyte development and platelet production | |
| Growth hormone receptor signaling | |
| Interferon gamma signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Interleukin-6 signaling | |
| POU5F1 (OCT4), SOX2, NANOG activate genes related to proliferation | |
| Prolactin receptor signaling | |
| Regulation of IFNG signaling | |
| RMTs methylate histone arginines | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Signaling by ERBB2 | |
| Signaling by FGFR1 fusion mutants | |
| Signaling by Leptin | |
| Signaling by SCF-KIT | |
| Signalling to STAT3 | |
| Transcriptional regulation of pluripotent stem cells |
