Detailed information for compound 224018

Basic information

Technical information
  • TDR Targets ID: 224018
  • Name: [(E)-[4-(4-fluorophenyl)sulfanylphenyl]methyl ideneamino]thiourea
  • MW: 305.394 | Formula: C14H12FN3S2
  • H donors: 1 H acceptors: 0 LogP: 4.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: SC(=N)N/N=C/c1ccc(cc1)Sc1ccc(cc1)F
  • InChi: 1S/C14H12FN3S2/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9+
  • InChiKey: KTTGPFIJHKUPOI-RQZCQDPDSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [(E)-[4-(4-fluorophenyl)sulfanylphenyl]methyleneamino]thiourea
  • [(E)-[4-[(4-fluorophenyl)thio]phenyl]methyleneamino]thiourea
  • 1-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]thiourea
  • [(E)-[4-[(4-fluorophenyl)thio]benzylidene]amino]thiourea
  • [[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]thiourea
  • [[4-(4-fluorophenyl)sulfanylphenyl]methyleneamino]thiourea
  • [[4-[(4-fluorophenyl)thio]phenyl]methyleneamino]thiourea
  • [[4-[(4-fluorophenyl)thio]benzylidene]amino]thiourea

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Schistosoma mansoni short chain dehydrogenase 0.0012 0.016 0.0131
Mycobacterium ulcerans ketoacyl reductase 0.0012 0.016 0.0016
Toxoplasma gondii oxidoreductase, putative 0.0012 0.016 0.0256
Echinococcus multilocularis transient receptor potential cation channel 0.0012 0.016 0.0131
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0113 0.2725 1
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0113 0.2725 0.4344
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0008 0.0049 0.0078
Brugia malayi Carboxylesterase family protein 0.0069 0.1607 0.2569
Echinococcus multilocularis carboxylesterase 5A 0.0069 0.1607 0.1582
Echinococcus granulosus carbonyl reductase 1 0.0012 0.016 0.0131
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.0012 0.016 0.0131
Echinococcus granulosus carbonyl reductase 1 0.0012 0.016 0.0131
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Toxoplasma gondii oxidoreductase, putative 0.0012 0.016 0.0256
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0012 0.016 0.0235
Loa Loa (eye worm) hypothetical protein 0.0113 0.2725 0.4356
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.0012 0.016 0.0016
Echinococcus granulosus acetylcholinesterase 0.0069 0.1607 0.1582
Mycobacterium leprae ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE 0.0012 0.016 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0113 0.2725 0.4344
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0897 0.1416
Schistosoma mansoni short-chain dehydrogenase/reductase 0.0012 0.016 0.0131
Mycobacterium ulcerans hypothetical protein 0.0252 0.6255 0.8267
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0012 0.016 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Schistosoma mansoni steroid dehydrogenase 0.0012 0.016 0.0131
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Schistosoma mansoni carbonyl reductase 0.0012 0.016 0.0131
Echinococcus multilocularis steroid dehydrogenase 0.0012 0.016 0.0131
Schistosoma mansoni RAR-like nuclear receptor 0.0008 0.0049 0.0019
Echinococcus granulosus BC026374 protein S09 family 0.0012 0.0149 0.012
Mycobacterium tuberculosis Probable oxidoreductase 0.0012 0.016 0.0016
Echinococcus multilocularis carbonyl reductase 1 0.0012 0.016 0.0131
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0012 0.016 0.0016
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0252 0.6255 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0149 0.0238
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0049 0.0019
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0897 0.0871
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0113 0.2725 0.4344
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.0049 0.0078
Onchocerca volvulus 0.0012 0.016 0.0588
Mycobacterium tuberculosis Probable oxidoreductase 0.0012 0.016 0.0016
Schistosoma mansoni hypothetical protein 0.04 1 1
Schistosoma mansoni short chain dehydrogenase 0.0012 0.016 0.0131
Loa Loa (eye worm) oxidoreductase 0.0012 0.016 0.0256
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.0256
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0113 0.2725 0.2703
Schistosoma mansoni hypothetical protein 0.004 0.086 0.0833
Onchocerca volvulus 0.0012 0.0149 0.0546
Schistosoma mansoni carbonyl reductase 0.0012 0.016 0.0131
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.0012 0.016 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 0.0049 0.0019
Loa Loa (eye worm) oxidoreductase 0.0012 0.016 0.0256
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Plasmodium vivax polyprenol reductase, putative 0.0113 0.2725 1
Onchocerca volvulus 0.0012 0.016 0.0588
Loa Loa (eye worm) oxidoreductase 0.0012 0.016 0.0256
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0012 0.016 0.0235
Mycobacterium tuberculosis Probable oxidoreductase 0.0012 0.016 0.0016
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Schistosoma mansoni short chain dehydrogenase 0.0012 0.016 0.0131
Brugia malayi Synaptic glycoprotein SC2 0.0113 0.2725 0.4356
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0008 0.0049 0.0019
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.0012 0.016 0.0256
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Giardia lamblia Synaptic glycoprotein SC2 0.0113 0.2725 1
Brugia malayi Steroid receptor seven-up type 2 0.0008 0.0049 0.0078
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0073 0.0044
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0008 0.0049 0.0179
Schistosoma mansoni short chain dehydrogenase 0.0012 0.016 0.0131
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0008 0.0049 0.0078
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0113 0.2725 0.2703
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0008 0.0049 0.0019
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0008 0.0049 0.0019
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0049 0.0019
Echinococcus granulosus steroid dehydrogenase 0.0012 0.016 0.0131
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0012 0.016 0.0235
Schistosoma mansoni steroid hormone receptor ad4bp 0.0008 0.0049 0.0019
Schistosoma mansoni steroid dehydrogenase 0.0012 0.016 0.0131
Loa Loa (eye worm) dehydrogenase 0.0012 0.016 0.0256
Echinococcus granulosus WW domain containing oxidoreductase 0.0012 0.016 0.0131
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0012 0.0149 0.012
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.0256
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0252 0.6255 1
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0012 0.016 0.0131
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0012 0.016 0.0256
Schistosoma mansoni coup transcription factor 0.0008 0.0049 0.0019
Brugia malayi Carboxylesterase family protein 0.0069 0.1607 0.2569
Mycobacterium ulcerans short-chain type oxidoreductase 0.0012 0.016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0008 0.0049 0.0078
Mycobacterium ulcerans short-chain membrane-associated dehydrogenase 0.0012 0.016 0.0016
Echinococcus granulosus carbonyl reductase 1 0.0012 0.016 0.0131
Toxoplasma gondii 3-ketoacyl-CoA reductase, putative 0.0012 0.016 0.0256
Loa Loa (eye worm) carboxylesterase 0.0012 0.0149 0.0238
Schistosoma mansoni short chain dehydrogenase 0.0012 0.016 0.0131
Onchocerca volvulus 0.0012 0.016 0.0588
Echinococcus multilocularis cpg binding protein 0.003 0.0605 0.0578
Schistosoma mansoni cpg binding protein 0.003 0.0605 0.0578
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Onchocerca volvulus 0.0012 0.016 0.0588
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0073 0.0116
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0252 0.6255 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0012 0.0149 0.012
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0008 0.0049 0.0019
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0008 0.0049 0.0078
Plasmodium falciparum polyprenol reductase, putative 0.0113 0.2725 1
Echinococcus granulosus retinol dehydrogenase 11 0.0012 0.016 0.0131
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.0012 0.016 0.0016
Echinococcus granulosus expressed conserved protein 0.009 0.214 0.2117
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.0256
Echinococcus multilocularis conserved hypothetical protein 0.0012 0.016 0.0131
Mycobacterium ulcerans dehydrogenase 0.0012 0.016 0.0016
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.2288 0.2265
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0012 0.016 0.0235
Schistosoma mansoni steroid dehydrogenase 0.0012 0.016 0.0131
Loa Loa (eye worm) hypothetical protein 0.0008 0.0049 0.0078
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0252 0.6255 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0012 0.0149 0.012
Onchocerca volvulus Protein ultraspiracle homolog 0.0008 0.0049 0.0179
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0012 0.016 0.0256
Echinococcus multilocularis synaptic glycoprotein sc2 0.0113 0.2725 0.2703
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0049 0.0019
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0012 0.016 0.0235
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0113 0.2725 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0012 0.016 0.0131
Echinococcus granulosus hypothetical protein 0.0012 0.016 0.0131
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0049 0.0019
Loa Loa (eye worm) hypothetical protein 0.0012 0.0149 0.0238
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0252 0.6255 1
Onchocerca volvulus 0.0012 0.016 0.0588
Echinococcus granulosus neuroligin 0.0012 0.0149 0.012
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Loa Loa (eye worm) oxidoreductase 0.0012 0.016 0.0256
Mycobacterium ulcerans dehydrogenase/reductase 0.0012 0.016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0008 0.0049 0.0078
Echinococcus multilocularis acetylcholinesterase 0.0069 0.1607 0.1582
Echinococcus multilocularis carbonyl reductase 1 0.0012 0.016 0.0131
Brugia malayi Carboxylesterase family protein 0.0012 0.0149 0.0238
Onchocerca volvulus Sepiapterin reductase homolog 0.0012 0.016 0.0588
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0008 0.0049 0.0019
Trichomonas vaginalis steroid dehydrogenase, putative 0.0012 0.016 0.0235
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0008 0.0049 0.0078
Schistosoma mansoni hypothetical protein 0.004 0.086 0.0833
Onchocerca volvulus 0.0012 0.016 0.0588
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0008 0.0049 0.0078
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0113 0.2725 0.2703
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0252 0.6255 1
Schistosoma mansoni short chain dehydrogenase 0.0012 0.016 0.0131
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0012 0.016 0.0131
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0113 0.2725 0.4356
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0012 0.016 0.0235
Schistosoma mansoni steroid dehydrogenase 0.0012 0.016 0.0131
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Mycobacterium ulcerans carveol-like dehydrogenase 0.0012 0.016 0.0016
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0012 0.016 0.0256
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0008 0.0049 0.0019
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.1364 0.1338
Brugia malayi Retinol dehydrogenase 12 0.0012 0.016 0.0256
Loa Loa (eye worm) carboxylesterase 0.0012 0.0149 0.0238
Brugia malayi Carboxylesterase family protein 0.0012 0.0149 0.0238
Mycobacterium tuberculosis Probable shortchain dehydrogenase 0.0012 0.016 0.0016
Loa Loa (eye worm) oxidoreductase 0.0012 0.016 0.0256
Echinococcus granulosus para nitrobenzyl esterase 0.0012 0.0149 0.012
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0008 0.0049 0.0078
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.0012 0.016 0.0131
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0008 0.0049 0.0078
Schistosoma mansoni steroid dehydrogenase 0.0012 0.016 0.0131
Echinococcus multilocularis expressed conserved protein 0.009 0.214 0.2117
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.0049 0.0078
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.0256
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0012 0.0149 0.012
Schistosoma mansoni short chain dehydrogenase 0.0012 0.016 0.0131
Loa Loa (eye worm) hypothetical protein 0.0008 0.0049 0.0078
Schistosoma mansoni steroid dehydrogenase 0.0012 0.016 0.0131
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0113 0.2725 0.4356
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Schistosoma mansoni short chain dehydrogenase 0.0012 0.016 0.0131
Loa Loa (eye worm) dehydrogenase 0.0012 0.016 0.0256
Mycobacterium tuberculosis Possible oxidoreductase 0.0012 0.016 0.0016
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Brugia malayi dehydrogenases, short chain protein 9 0.0012 0.016 0.0256
Onchocerca volvulus 0.0012 0.016 0.0588
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0012 0.016 0.0131
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0012 0.016 0.0016
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.3333 0.3313
Brugia malayi Carboxylesterase family protein 0.0012 0.0149 0.0238
Echinococcus multilocularis thyroid hormone receptor alpha 0.0008 0.0049 0.0019
Mycobacterium ulcerans ketoacyl reductase 0.0012 0.016 0.0016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0008 0.0049 0.0078
Mycobacterium ulcerans dehydrogenase/decarboxylase protein 0.0012 0.016 0.0016
Onchocerca volvulus 0.0012 0.0149 0.0546
Loa Loa (eye worm) hypothetical protein 0.0008 0.0049 0.0078
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0008 0.0049 0.0019
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0008 0.0049 0.0019
Echinococcus granulosus FTZ F1 alpha 0.0008 0.0049 0.0019
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0008 0.0049 0.0019
Brugia malayi steroid hormone receptor 0.0008 0.0049 0.0078
Brugia malayi ecdysteroid receptor 0.0008 0.0049 0.0078
Schistosoma mansoni nuclear hormone receptor 0.0008 0.0049 0.0019
Loa Loa (eye worm) hypothetical protein 0.0012 0.0149 0.0238
Onchocerca volvulus 0.0008 0.0049 0.0179
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Loa Loa (eye worm) hypothetical protein 0.0008 0.0049 0.0078
Loa Loa (eye worm) oxidoreductase 0.0012 0.016 0.0256
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0012 0.016 0.0256
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.0012 0.016 0.0016
Plasmodium falciparum steroid dehydrogenase, putative 0.0012 0.016 0.0588
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0073 0.0044
Schistosoma mansoni cpg binding protein 0.003 0.0605 0.0578
Echinococcus multilocularis neuroligin 0.0012 0.0149 0.012
Onchocerca volvulus Bile acid receptor homolog 0.0008 0.0049 0.0179
Echinococcus multilocularis oxidoreductase 0.0012 0.016 0.0131
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0012 0.016 0.0131
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0012 0.016 0.0016
Brugia malayi photoreceptor-specific nuclear receptor 0.0008 0.0049 0.0078
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0012 0.016 0.0588
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0012 0.016 0.0235
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.0256
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0049 0.0019
Echinococcus multilocularis retinol dehydrogenase 11 0.0012 0.016 0.0131
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0897 0.0871
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0008 0.0049 0.0078
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.2325 0.2303
Brugia malayi dehydrogenases, short chain protein 2 0.0012 0.016 0.0256
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Echinococcus multilocularis carbonyl reductase 1 0.0012 0.016 0.0131
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0012 0.016 0.0588
Echinococcus granulosus cpg binding protein 0.003 0.0605 0.0578
Schistosoma mansoni steroid dehydrogenase 0.0012 0.016 0.0131
Loa Loa (eye worm) hypothetical protein 0.0069 0.1607 0.2569
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0897 0.1435
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0113 0.2725 0.4208
Entamoeba histolytica hypothetical protein 0.0113 0.2725 0.4208
Mycobacterium tuberculosis Probable oxidoreductase 0.0012 0.016 0.0016
Onchocerca volvulus 0.0012 0.016 0.0588
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0069 0.1607 0.1582
Mycobacterium leprae Probable oxidoreductase 0.0012 0.016 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0012 0.016 0.0016
Onchocerca volvulus 0.0012 0.016 0.0588
Loa Loa (eye worm) hypothetical protein 0.0041 0.0897 0.1435
Mycobacterium tuberculosis Probable oxidoreductase 0.0302 0.7535 1
Plasmodium vivax hypothetical protein, conserved 0.0012 0.016 0.0588
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0252 0.6255 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.0256
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.2288 0.3657
Toxoplasma gondii carbonyl reductase 1, putative 0.0012 0.016 0.0256
Loa Loa (eye worm) carboxylesterase 0.0069 0.1607 0.2569
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0012 0.016 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.1607 0.2569
Schistosoma mansoni acetylcholinesterase 0.0012 0.0149 0.012
Brugia malayi hypothetical protein 0.0012 0.0149 0.0238
Plasmodium vivax steroid dehydrogenase, putative 0.0012 0.016 0.0588
Onchocerca volvulus 0.0012 0.0149 0.0546
Loa Loa (eye worm) hypothetical protein 0.0012 0.0149 0.0238
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.0049 0.0078
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0008 0.0049 0.0078
Schistosoma mansoni short chain dehydrogenase 0.0012 0.016 0.0131
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Echinococcus granulosus hypothetical protein 0.0012 0.016 0.0131
Mycobacterium tuberculosis Probable dehydrogenase 0.0012 0.016 0.0016
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0012 0.016 0.0016
Mycobacterium ulcerans ketoacyl reductase 0.0012 0.016 0.0016
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0012 0.0149 0.0238
Brugia malayi nuclear receptor NHR-88 0.0008 0.0049 0.0078
Echinococcus multilocularis protein dispatched 1 0.0047 0.1045 0.1019
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.0012 0.016 0.0131
Brugia malayi oxidoreductase 0.0012 0.016 0.0256
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Echinococcus multilocularis FTZ F1 alpha 0.0008 0.0049 0.0019
Echinococcus granulosus carboxylesterase 5A 0.0069 0.1607 0.1582
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0012 0.0149 0.0238
Brugia malayi CHE-14 protein 0.0041 0.0897 0.1435
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.0049 0.0078
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0008 0.0049 0.0019
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Schistosoma mansoni carbonyl reductase 0.0012 0.016 0.0131
Schistosoma mansoni short chain dehydrogenase 0.0012 0.016 0.0131
Echinococcus granulosus synaptic glycoprotein sc2 0.0113 0.2725 0.2703
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.2288 0.2265
Brugia malayi hypothetical protein 0.0012 0.016 0.0256
Onchocerca volvulus 0.0113 0.2725 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0565 0.0903
Echinococcus multilocularis dnaJ subfamily B 0.04 1 1
Schistosoma mansoni short chain dehydrogenase 0.0012 0.016 0.0131
Trichomonas vaginalis estradiol 17 beta-dehydrogenase, putative 0.0012 0.016 0.0235
Trichomonas vaginalis spcc417.12 protein, putative 0.0012 0.0149 0.0216
Echinococcus multilocularis para nitrobenzyl esterase 0.0012 0.0149 0.012
Onchocerca volvulus 0.0012 0.016 0.0588
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0012 0.016 0.5
Schistosoma mansoni hypothetical protein 0.004 0.086 0.0833
Mycobacterium ulcerans oxidoreductase 0.0012 0.016 0.0016
Brugia malayi Dehydrogenases, short chain protein 2 0.0012 0.016 0.0256
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0113 0.2725 0.4344
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0008 0.0049 0.0078
Onchocerca volvulus 0.0012 0.016 0.0588
Echinococcus multilocularis protein patched 0.0041 0.0897 0.0871
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.0012 0.016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.0256
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.0049 0.0078
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.0049 0.0078
Schistosoma mansoni short chain dehydrogenase 0.0012 0.016 0.0131
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0012 0.016 0.5
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0252 0.6255 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.0256
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.0256
Mycobacterium ulcerans short-chain dehydrogenase 0.0012 0.016 0.0016
Onchocerca volvulus 0.0012 0.0149 0.0546
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Loa Loa (eye worm) steroid hormone receptor 0.0008 0.0049 0.0078
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0012 0.016 0.0256
Loa Loa (eye worm) hypothetical protein 0.0012 0.0149 0.0238
Mycobacterium tuberculosis Possible ketoacyl reductase 0.0012 0.016 0.0016
Loa Loa (eye worm) oxidoreductase 0.0012 0.016 0.0256
Brugia malayi nuclear hormone receptor 0.0008 0.0049 0.0078
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0113 0.2725 0.4344
Schistosoma mansoni short chain dehydrogenase 0.0012 0.016 0.0131
Echinococcus multilocularis retinol dehydrogenase 13 0.0012 0.016 0.0131
Schistosoma mansoni steroid dehydrogenase 0.0012 0.016 0.0131
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0008 0.0049 0.0078
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0012 0.016 0.0131
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.0049 0.0078
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Loa Loa (eye worm) hypothetical protein 0.0008 0.0049 0.0078
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0012 0.0149 0.0216
Brugia malayi hypothetical protein 0.0012 0.016 0.0256
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0012 0.0149 0.012
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.0012 0.016 0.0016
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0012 0.0149 0.012
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.007 0.0112
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0049 0.0019
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0008 0.0049 0.0019
Brugia malayi Dehydrogenases, short chain protein 30 0.0012 0.016 0.0256
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.0256
Echinococcus multilocularis ecdysone induced protein 78C 0.0008 0.0049 0.0019
Schistosoma mansoni retinal dehydrogenase 0.0012 0.016 0.0131
Mycobacterium ulcerans short chain dehydrogenase 0.0302 0.7535 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0012 0.016 0.0016
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0113 0.2725 0.4356
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0008 0.0049 0.0078
Schistosoma mansoni hypothetical protein 0.004 0.086 0.0833
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0012 0.016 0.0235
Mycobacterium tuberculosis Probable oxidoreductase 0.0012 0.016 0.0016
Schistosoma mansoni patched 1 0.0041 0.0897 0.0871
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.0256
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 1 homolog 0.0012 0.016 0.0588
Schistosoma mansoni gliotactin 0.0012 0.0149 0.012
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Schistosoma mansoni steroid dehydrogenase 0.0012 0.016 0.0131
Brugia malayi CXXC zinc finger family protein 0.0028 0.0565 0.0903
Echinococcus granulosus acetylcholinesterase 0.0069 0.1607 0.1582
Loa Loa (eye worm) hypothetical protein 0.0008 0.0049 0.0078
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0252 0.6255 1
Schistosoma mansoni retinoic acid receptor RXR 0.0008 0.0049 0.0019
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0252 0.6255 1
Echinococcus multilocularis acetylcholinesterase 0.0069 0.1607 0.1582
Loa Loa (eye worm) hypothetical protein 0.0252 0.6255 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0012 0.0149 0.012
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Onchocerca volvulus 0.0028 0.0565 0.2073
Mycobacterium ulcerans short-chain dehydrogenase 0.0012 0.016 0.0016
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0012 0.016 0.0588
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.0012 0.016 0.0016
Echinococcus granulosus carbonyl reductase 1 0.0012 0.016 0.0131
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0012 0.016 0.0131
Echinococcus multilocularis carbonyl reductase 1 0.0012 0.016 0.0131
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.2288 0.3491
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Schistosoma mansoni steroid dehydrogenase 0.0012 0.016 0.0131
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Schistosoma mansoni short chain dehydrogenase 0.0012 0.016 0.0131
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.3333 0.3313
Trichomonas vaginalis short-chain dehydrogenases/reductase, putative 0.0012 0.016 0.0235
Mycobacterium ulcerans short-chain dehydrogenase 0.0012 0.016 0.0016
Trichomonas vaginalis hydroxyacyl dehydrogenase, putative 0.0012 0.016 0.0235
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0008 0.0049 0.0019
Echinococcus granulosus ecdysone induced protein 78C 0.0008 0.0049 0.0019
Loa Loa (eye worm) oxidoreductase 0.0012 0.016 0.0256
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0008 0.0049 0.0019
Brugia malayi Carboxylesterase family protein 0.0012 0.0149 0.0238
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0012 0.016 0.0131
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Loa Loa (eye worm) acetylcholinesterase 1 0.0069 0.1607 0.2569
Loa Loa (eye worm) hypothetical protein 0.005 0.1133 0.1811
Mycobacterium ulcerans short chain dehydrogenase 0.0012 0.016 0.0016
Schistosoma mansoni cpg binding protein 0.0028 0.0565 0.0537
Trichomonas vaginalis conserved hypothetical protein 0.0113 0.2725 0.4344
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0008 0.0049 0.0078
Loa Loa (eye worm) oxidoreductase 0.0012 0.016 0.0256
Mycobacterium ulcerans oxidoreductase 0.0012 0.016 0.0016
Echinococcus multilocularis steroid dehydrogenase 0.0012 0.016 0.0131
Echinococcus granulosus oxidoreductase 0.0012 0.016 0.0131
Onchocerca volvulus 0.0012 0.016 0.0588
Echinococcus granulosus retinol dehydrogenase 11 0.0012 0.016 0.0131
Mycobacterium tuberculosis Possible fatty acyl-CoA reductase 0.0012 0.016 0.0016
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0113 0.2725 0.2703
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.016 0.0256
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0012 0.016 0.0131
Onchocerca volvulus 0.0012 0.016 0.0588
Loa Loa (eye worm) hypothetical protein 0.0096 0.2288 0.3657
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0012 0.016 0.0016
Echinococcus multilocularis retinol dehydrogenase 11 0.0012 0.016 0.0131
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0012 0.0149 0.012
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.1202 0.1922
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0113 0.2725 0.4208
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0008 0.0049 0.0019
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0113 0.2725 0.4208
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0012 0.016 0.0016
Schistosoma mansoni short chain dehydrogenase 0.0012 0.016 0.0131
Plasmodium falciparum oxidoreductase, short-chain dehydrogenase family, putative 0.0012 0.016 0.0588
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0113 0.2725 0.4208
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0897 0.0871
Onchocerca volvulus 0.0012 0.0149 0.0546

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NT 0 Compound was tested for anticonvulsant activity after Oral Administration into Rats by using MES screen test after 0.25h,dose 12.5 mg/kg; No activity was demonstrated ChEMBL. 8831764
Activity (functional) = 1 Anticonvulsant activity after oral administration into rats ChEMBL. 8831764
Activity (functional) = 1 Compound was tested for anticonvulsant activity after Oral Administration into Rats by using MES screen test after 2h,dose 12.5 mg/kg; number of rats out of four which were protected ChEMBL. 8831764
Activity (functional) = 1 Compound was tested for anticonvulsant activity after Oral Administration into Rats by using MES screen test after 4h,dose 12.5 mg/kg; number of rats out of four which were protected ChEMBL. 8831764
Activity (functional) = 2 Compound was tested for anticonvulsant activity after Oral Administration into Rats by using MES screen test after 1h,dose 12.5 mg/kg; number of rats out of four which were protected ChEMBL. 8831764
Dose (functional) = 100 mg kg-1 Anticonvulsant activity after intraperitoneal injection into mice by using MES screen test after 0.5 hr ChEMBL. 8831764
Dose (functional) = 100 mg kg-1 Anticonvulsant activity after intraperitoneal injection into mice measured in a maximal electroshock scree (MES) screen ChEMBL. 8831764
Dose (functional) = 100 mg kg-1 Anticonvulsant activity after intraperitoneal injection into mice by using scPTZ screen after 0.5 hr ChEMBL. 8831764
Dose (functional) = 100 mg kg-1 Anticonvulsant activity after intraperitoneal injection into mice by using scPTZ screen test after 4 hr ChEMBL. 8831764
Dose (ADMET) = 100 mg kg-1 Compound was tested for toxicity after intraperitoneal injection into mice by using toxicity screen test after 4 hr ChEMBL. 8831764
Dose (functional) = 100 mg kg-1 Anticonvulsant activity after intraperitoneal injection into mice by using MES screen test after 0.5 hr ChEMBL. 8831764
Dose (functional) = 100 mg kg-1 Anticonvulsant activity after intraperitoneal injection into mice measured in a maximal electroshock scree (MES) screen ChEMBL. 8831764
Dose (functional) = 100 mg kg-1 Anticonvulsant activity after intraperitoneal injection into mice by using scPTZ screen after 0.5 hr ChEMBL. 8831764
Dose (functional) = 100 mg kg-1 Anticonvulsant activity after intraperitoneal injection into mice by using scPTZ screen test after 4 hr ChEMBL. 8831764
Dose (ADMET) = 100 mg kg-1 Compound was tested for toxicity after intraperitoneal injection into mice by using toxicity screen test after 4 hr ChEMBL. 8831764

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.