Detailed information for compound 1609924

Basic information

Technical information
  • TDR Targets ID: 1609924
  • Name: 1-butyl-3-[(4-cyanophenyl)methylideneamino]th iourea
  • MW: 260.358 | Formula: C13H16N4S
  • H donors: 2 H acceptors: 1 LogP: 2.57 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNC(=S)N/N=C/c1ccc(cc1)C#N
  • InChi: 1S/C13H16N4S/c1-2-3-8-15-13(18)17-16-10-12-6-4-11(9-14)5-7-12/h4-7,10H,2-3,8H2,1H3,(H2,15,17,18)/b16-10+
  • InChiKey: GTOLVPIARGYQSM-MHWRWJLKSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-butyl-3-[(4-cyanophenyl)methyleneamino]thiourea
  • 1-butyl-3-[(4-cyanobenzylidene)amino]thiourea
  • T0520-1938
  • MLS001017746
  • SMR000354067

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0093 0.0893 0.0967
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.038 0.0438
Loa Loa (eye worm) notch protein 0.0093 0.0893 0.1029
Schistosoma mansoni notch 0.0093 0.0893 0.1029
Brugia malayi Blistered cuticle protein 3 0.0851 0.8679 1
Echinococcus multilocularis neurogenic locus protein delta 0.0093 0.0893 0.0893
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Echinococcus granulosus protein jagged 2 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Brugia malayi ecdysteroid receptor 0.0012 0.0059 0.0068
Schistosoma mansoni serine/threonine protein kinase 0.0159 0.1567 0.1805
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2874 1
Brugia malayi EGF-like domain containing protein 0.0093 0.0893 0.1029
Echinococcus multilocularis neurogenic locus notch protein 0.0093 0.0893 0.0893
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Onchocerca volvulus 0.0093 0.0893 0.0967
Brugia malayi nuclear receptor NHR-88 0.0012 0.0059 0.0068
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0059 0.0059
Onchocerca volvulus Chorion peroxidase homolog 0.0851 0.8679 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0059 0.0068
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0068
Brugia malayi EGF-like domain containing protein 0.0093 0.0893 0.1029
Brugia malayi Calcium binding EGF domain containing protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0159 0.1567 0.1805
Schistosoma mansoni hypothetical protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0851 0.8679 1
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0059 0.0068
Brugia malayi Pre-SET motif family protein 0.0036 0.0304 0.0351
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0068
Schistosoma mansoni hypothetical protein 0.0043 0.038 0.0438
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0059 0.0068
Brugia malayi Peroxidasin 0.0851 0.8679 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0059 0.0068
Plasmodium vivax SET domain protein, putative 0.0036 0.0304 0.5
Onchocerca volvulus 0.0093 0.0893 0.0967
Onchocerca volvulus 0.0093 0.0893 0.0967
Loa Loa (eye worm) hypothetical protein 0.0851 0.8679 1
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0093 0.0893 0.1029
Onchocerca volvulus 0.0851 0.8679 1
Onchocerca volvulus Peroxidasin homolog 0.0851 0.8679 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0059 0.0068
Schistosoma mansoni hypothetical protein 0.0093 0.0893 0.1029
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0059 0.0068
Echinococcus granulosus neural cadherin 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0851 0.8679 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0059 0.0068
Onchocerca volvulus Putative cubilin 0.0093 0.0893 0.0967
Echinococcus multilocularis protein jagged 2 0.0093 0.0893 0.0893
Echinococcus granulosus notch 0.0093 0.0893 0.1029
Loa Loa (eye worm) blistered cuticle protein 3 0.0851 0.8679 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.038 0.0438
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0059 0.0068
Loa Loa (eye worm) animal heme peroxidase 0.0851 0.8679 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0291 0.0335
Schistosoma mansoni hypothetical protein 0.0093 0.0893 0.1029
Echinococcus multilocularis notch 0.0093 0.0893 0.0893
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0159 0.1567 0.1805
Echinococcus granulosus protein jagged 1 0.0093 0.0893 0.1029
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0304 0.0351
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0068
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0159 0.1567 0.1805
Echinococcus multilocularis fibropellin Ia 0.0093 0.0893 0.0893
Brugia malayi nuclear hormone receptor 0.0012 0.0059 0.0068
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0059 0.0059
Brugia malayi EGF-like domain containing protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) animal heme peroxidase 0.0851 0.8679 1
Echinococcus granulosus neurogenic locus notch protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) animal heme peroxidase 0.0851 0.8679 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0304 0.0351
Brugia malayi Delta serrate ligand family protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0851 0.8679 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0059 0.0068
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0851 0.8679 1
Schistosoma mansoni cell polarity protein 0.0093 0.0893 0.1029
Onchocerca volvulus Peroxidasin homolog 0.0851 0.8679 1
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0159 0.1567 0.1567
Brugia malayi hypothetical protein 0.0851 0.8679 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0059 0.0068
Echinococcus granulosus protein jagged 2 0.0093 0.0893 0.1029
Brugia malayi Cadherin domain containing protein 0.0093 0.0893 0.1029
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0059 0.0068
Onchocerca volvulus Peroxidase homolog 0.0851 0.8679 1
Loa Loa (eye worm) Notch2 0.0093 0.0893 0.1029
Echinococcus granulosus delta-like protein 1 0.0093 0.0893 0.1029
Onchocerca volvulus 0.0851 0.8679 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0059 0.0068
Brugia malayi EGF-like domain containing protein 0.0093 0.0893 0.1029
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0059 0.0068
Echinococcus multilocularis peroxidasin 0.0851 0.8679 0.8679
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0068
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0304 0.0304
Toxoplasma gondii EGF family domain-containing protein 0.0093 0.0893 1
Brugia malayi Calcium binding EGF domain containing protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2517 0.29
Schistosoma mansoni hypothetical protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Brugia malayi EGF-like domain containing protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0059 0.0068
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0068
Echinococcus multilocularis slit 2 protein 0.0093 0.0893 0.0893
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0059 0.0068
Brugia malayi Pre-SET motif family protein 0.0251 0.2517 0.29
Schistosoma mansoni septate junction protein 0.0093 0.0893 0.1029
Schistosoma mansoni peroxidasin 0.0851 0.8679 1
Brugia malayi steroid hormone receptor 0.0012 0.0059 0.0068
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0059 0.0059
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0059 0.0068
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0059 0.0059
Schistosoma mansoni hypothetical protein 0.0093 0.0893 0.1029
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0059 0.0068
Loa Loa (eye worm) hypothetical protein 0.0851 0.8679 1
Brugia malayi EGF-like domain containing protein 0.0093 0.0893 0.1029
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0059 0.0068
Schistosoma mansoni hypothetical protein 0.0093 0.0893 0.1029
Entamoeba histolytica protein kinase, putative 0.0159 0.1567 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0059 0.0068
Brugia malayi Protein kinase domain containing protein 0.0159 0.1567 0.1805
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0851 0.8679 1
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0059 0.0068
Echinococcus multilocularis fat cadherin tumor suppressor 0.0093 0.0893 0.0893
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0059 0.0059
Brugia malayi EGF-like domain containing protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Onchocerca volvulus Peroxidase homolog 0.0851 0.8679 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0059 0.0068
Loa Loa (eye worm) hypothetical protein 0.0036 0.0304 0.0351
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0059 0.0059
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0059 0.0068
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0059 0.0068
Echinococcus granulosus peroxidasin 0.0851 0.8679 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Onchocerca volvulus 0.0036 0.0304 0.0284
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0059 0.0068
Brugia malayi Cadherin domain containing protein 0.0093 0.0893 0.1029
Brugia malayi hypothetical protein 0.0043 0.038 0.0438
Loa Loa (eye worm) hypothetical protein 0.0851 0.8679 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0304 0.0351
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0059 0.0068
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Giardia lamblia High cysteine protein 0.0093 0.0893 0.5
Echinococcus multilocularis neural cadherin 0.0093 0.0893 0.0893
Echinococcus multilocularis neurogenic locus protein delta 0.0093 0.0893 0.0893
Schistosoma mansoni slit 0.0093 0.0893 0.1029
Onchocerca volvulus Slit protein homolog 0.0093 0.0893 0.0967
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0304 0.0351
Schistosoma mansoni notch 0.0093 0.0893 0.1029
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0059 0.0059
Brugia malayi phosphoinositide-dependent protein kinase I 0.0159 0.1567 0.1805
Echinococcus granulosus neurogenic locus protein delta 0.0093 0.0893 0.1029
Schistosoma mansoni notch 0.0093 0.0893 0.1029
Echinococcus granulosus neurogenic locus notch protein 4 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Brugia malayi Animal haem peroxidase family protein 0.0851 0.8679 1
Schistosoma mansoni peroxidasin 0.0851 0.8679 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0059 0.0059
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0059 0.0068
Echinococcus granulosus fibropellin Ia 0.0093 0.0893 0.1029
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0059 0.0068
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0059 0.0068
Brugia malayi Animal haem peroxidase family protein 0.0851 0.8679 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0059 0.0068
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0068
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0059 0.0068
Echinococcus granulosus slit 2 protein 0.0093 0.0893 0.1029
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0059 0.0068
Onchocerca volvulus Neurogenic locus notch homolog 0.0093 0.0893 0.0967
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0059 0.0068
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0059 0.0068
Onchocerca volvulus 0.0851 0.8679 1
Brugia malayi Animal haem peroxidase family protein 0.0851 0.8679 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0059 0.0059
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.038 0.038
Onchocerca volvulus 0.0286 0.2874 0.3266
Schistosoma mansoni coup transcription factor 0.0012 0.0059 0.0068
Echinococcus granulosus neurogenic locus notch protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0851 0.8679 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0059 0.0068
Brugia malayi GCC2 and GCC3 family protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0059 0.0068
Brugia malayi Animal haem peroxidase family protein 0.0851 0.8679 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0059 0.0068
Loa Loa (eye worm) hypothetical protein 0.0851 0.8679 1
Echinococcus multilocularis neurogenic locus notch protein 0.0093 0.0893 0.0893
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0059 0.0068
Echinococcus multilocularis protein jagged 1 0.0093 0.0893 0.0893
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0304 0.0351
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0059 0.0068
Schistosoma mansoni notch 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0851 0.8679 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0059 0.0068
Brugia malayi Calcium binding EGF domain containing protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0059 0.0068
Loa Loa (eye worm) hypothetical protein 0.0851 0.8679 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0059 0.0068
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0093 0.0893 0.1029
Onchocerca volvulus 0.0093 0.0893 0.0967
Schistosoma mansoni laminin gamma-3 chain 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0851 0.8679 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0068
Echinococcus multilocularis protein jagged 1 0.0093 0.0893 0.0893
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0059 0.0068
Schistosoma mansoni notch 0.0093 0.0893 0.1029
Echinococcus granulosus protein jagged 1 0.0093 0.0893 0.1029
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0059 0.0068
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0059 0.0068
Schistosoma mansoni hypothetical protein 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0304 0.0304
Echinococcus multilocularis neurogenic locus notch protein 4 0.0093 0.0893 0.0893
Brugia malayi Animal haem peroxidase family protein 0.0851 0.8679 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0893 0.1029
Onchocerca volvulus Dual oxidase homolog 0.0851 0.8679 1
Loa Loa (eye worm) hypothetical protein 0.0851 0.8679 1
Schistosoma mansoni notch 0.0093 0.0893 0.1029
Loa Loa (eye worm) animal heme peroxidase 0.0851 0.8679 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0059 0.0068
Brugia malayi notch-like transmembrane receptor 0.0093 0.0893 0.1029
Loa Loa (eye worm) hypothetical protein 0.0012 0.0059 0.0068
Brugia malayi Muscle positioning protein 4 0.0093 0.0893 0.1029
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0093 0.0893 0.0967

Activities

Activity type Activity value Assay description Source Reference
AbsAC40 (functional) = 4.58 uM PubChem BioAssay. HTS for the detection of C. neoformans cell lysis via adenylate kinase (AK) release Measured in Microorganism System Using Plate Reader - 2162-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 16.3535 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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