Detailed information for compound 1283490

Basic information

Technical information
  • TDR Targets ID: 1283490
  • Name: N-[2,5-dimethoxy-4-(methylcarbamothioylamino) phenyl]pentanamide
  • MW: 325.426 | Formula: C15H23N3O3S
  • H donors: 2 H acceptors: 1 LogP: 2.35 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC(=O)Nc1cc(OC)c(cc1OC)NC(=NC)S
  • InChi: 1S/C15H23N3O3S/c1-5-6-7-14(19)17-10-8-13(21-4)11(9-12(10)20-3)18-15(22)16-2/h8-9H,5-7H2,1-4H3,(H,17,19)(H2,16,18,22)
  • InChiKey: ZOKVTCMCFZPSDP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2,5-dimethoxy-4-[(methylamino-thioxomethyl)amino]phenyl]pentanamide
  • N-[2,5-dimethoxy-4-(methylthiocarbamoylamino)phenyl]valeramide
  • ZINC04241910
  • MLS000709533
  • SMR000286900
  • ASN 05046496
  • Pentanoic acid [2,5-dimethoxy-4-(3-methyl-thioureido)-phenyl]-amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Loa Loa (eye worm) thioredoxin reductase 0.004 0.1105 0.1026
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0019 0.0245 0.0921
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0019 0.0245 0.0921
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0019 0.0245 0.0921
Trichomonas vaginalis receptor histidine kinase, putative 0.0019 0.0245 0.0245
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.009 0.327 0.8755
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0115 0.0165
Loa Loa (eye worm) TOPoisomerase family member 0.0019 0.0245 0.0135
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0076 0.2664 0.7198
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.2128 0.6088
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0115 0.0165
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0748 0.1071
Loa Loa (eye worm) hypothetical protein 0.0019 0.0245 0.0135
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0115 0.0165
Trypanosoma brucei DNA topoisomerase ii 0.0019 0.0245 0.0702
Brugia malayi jmjC domain containing protein 0.0062 0.2043 0.2092
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.009 0.327 0.8837
Trypanosoma cruzi DNA topoisomerase II, putative 0.0019 0.0245 0.0702
Echinococcus granulosus heat shock protein 0.0096 0.3495 0.5002
Giardia lamblia Pms1-like protein 0.0019 0.0245 0.0702
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Brugia malayi kinase, mitochondrial precursor 0.0019 0.0245 0.0251
Trichomonas vaginalis endoplasmin, putative 0.0059 0.1917 0.1917
Trichomonas vaginalis heat shock protein, putative 0.0039 0.1086 0.1086
Plasmodium vivax JmjC domain containing protein 0.0016 0.0115 0.0329
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0019 0.0245 0.0921
Mycobacterium tuberculosis Putative ferredoxin reductase 0.009 0.327 0.8837
Brugia malayi Pre-SET motif family protein 0.0218 0.8715 0.8925
Brugia malayi Endoplasmin precursor 0.0096 0.3495 0.3579
Plasmodium vivax heat shock protein 90, putative 0.0039 0.1086 0.3108
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0019 0.0245 0.0251
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0019 0.0245 0.0702
Leishmania major heat shock protein, putative 0.0039 0.1086 0.3108
Entamoeba histolytica heat shock protein 90, putative 0.0096 0.3495 1
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0019 0.0245 0.0663
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0019 0.0245 0.0663
Brugia malayi Pre-SET motif family protein 0.0031 0.0748 0.0766
Trypanosoma cruzi heat shock protein 85, putative 0.0096 0.3495 1
Trypanosoma cruzi heat shock protein 90, putative 0.0096 0.3495 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0076 0.2664 0.7622
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0115 0.0329
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2128 0.7988
Brugia malayi jmjC domain containing protein 0.0016 0.0115 0.0118
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0019 0.0245 0.0245
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0019 0.0245 0.0251
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0115 0.0165
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2128 0.7988
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.009 0.327 0.8837
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0019 0.0245 0.0702
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0076 0.2664 1
Mycobacterium ulcerans DNA gyrase subunit B 0.0019 0.0245 0.0921
Trypanosoma brucei heat shock protein, putative 0.0096 0.3495 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0748 0.1071
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0019 0.0245 0.0921
Trypanosoma brucei heat shock protein, putative 0.0096 0.3495 1
Trypanosoma brucei heat shock protein 84, putative 0.0039 0.1086 0.3108
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0115 0.0165
Brugia malayi Probable DNA topoisomerase II 0.0019 0.0245 0.0251
Schistosoma mansoni heat shock protein 0.0039 0.1086 0.1555
Trypanosoma brucei developmentally regulated phosphoprotein 0.0019 0.0245 0.0702
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0242 0.9765 1
Trichomonas vaginalis heat shock protein, putative 0.0096 0.3495 0.3495
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2128 0.7988
Schistosoma mansoni endoplasmin 0.0096 0.3495 0.5002
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0019 0.0245 0.0245
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0019 0.0245 0.0921
Mycobacterium ulcerans two component sensor kinase MprB 0.0019 0.0245 0.0921
Brugia malayi follicle stimulating hormone receptor 0.0242 0.9765 1
Schistosoma mansoni heat shock protein 0.0096 0.3495 0.5002
Plasmodium vivax heat shock protein, putative 0.0039 0.1086 0.3108
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.01 0.3701 1
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0019 0.0245 0.0702
Chlamydia trachomatis DNA gyrase subunit B 0.0019 0.0245 1
Trypanosoma cruzi heat shock protein 85, putative 0.0096 0.3495 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0748 0.1071
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0019 0.0245 0.0702
Loa Loa (eye worm) glutathione reductase 0.004 0.1105 0.1026
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0076 0.2664 0.7622
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0748 0.2141
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Plasmodium falciparum DNA topoisomerase 2 0.0019 0.0245 0.0702
Trypanosoma cruzi Heat shock protein 83, putative 0.0096 0.3495 1
Trypanosoma brucei heat shock protein, putative 0.0096 0.3495 1
Echinococcus multilocularis heat shock protein 90 0.0096 0.3495 0.5002
Echinococcus multilocularis endoplasmin 0.0076 0.2664 0.3813
Trichomonas vaginalis heat shock protein, putative 0.0076 0.2664 0.2664
Loa Loa (eye worm) heat shock protein 75 0.0039 0.1086 0.1006
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0748 0.1071
Trypanosoma cruzi heat shock protein, putative 0.0039 0.1086 0.3108
Trypanosoma cruzi heat shock protein 90, putative 0.0056 0.1823 0.5216
Schistosoma mansoni DNA topoisomerase II 0.0019 0.0245 0.0351
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.1105 0.2985
Loa Loa (eye worm) hypothetical protein 0.0031 0.0748 0.0656
Trypanosoma cruzi heat shock protein 85, putative 0.0096 0.3495 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0016 0.0115 0.0165
Plasmodium falciparum DNA gyrase subunit B 0.0019 0.0245 0.0702
Brugia malayi heat shock protein 90 0.0096 0.3495 0.3579
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.2128 0.575
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0218 0.8715 0.8912
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0019 0.0245 0.0702
Schistosoma mansoni heat shock protein 0.0096 0.3495 0.5002
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0115 0.0165
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0019 0.0245 0.0351
Trichomonas vaginalis heat shock protein, putative 0.0076 0.2664 0.2664
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0748 0.1071
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Trichomonas vaginalis set domain proteins, putative 0.0248 1 1
Trypanosoma brucei Heat shock protein 83, putative 0.0096 0.3495 1
Brugia malayi Hsp90 protein 0.0039 0.1086 0.1112
Plasmodium falciparum endoplasmin, putative 0.0059 0.1917 0.5486
Plasmodium vivax heat shock protein 86, putative 0.0096 0.3495 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0019 0.0245 0.0702
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0016 0.0115 0.0329
Treponema pallidum heat shock protein 90 0.0076 0.2664 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0019 0.0245 0.0702
Toxoplasma gondii DNA topoisomerase 2, putative 0.0019 0.0245 0.0702
Plasmodium falciparum heat shock protein 90 0.0096 0.3495 1
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Mycobacterium ulcerans two component regulator - sensor kinase 0.0019 0.0245 0.0921
Echinococcus granulosus phd:f box containing protein 0.0016 0.0115 0.0165
Trichomonas vaginalis DNA topoisomerase II, putative 0.0019 0.0245 0.0245
Plasmodium vivax DNA topoisomerase II, putative 0.0019 0.0245 0.0702
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0019 0.0245 0.0663
Brugia malayi jmjC domain containing protein 0.0016 0.0115 0.0118
Plasmodium falciparum thioredoxin reductase 0.004 0.1105 0.3161
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0039 0.1086 0.1555
Echinococcus granulosus lysine specific demethylase 5A 0.0062 0.2043 0.2923
Trypanosoma brucei heat shock protein, putative 0.0096 0.3495 1
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0115 0.0165
Mycobacterium tuberculosis Probable oxidoreductase 0.01 0.3701 1
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0019 0.0245 0.0663
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0016 0.0115 0.0329
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0019 0.0245 0.0921
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0016 0.0115 0.0165
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0019 0.0245 0.0702
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.2128 0.3045
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0019 0.0245 0.0921
Mycobacterium ulcerans putative regultory protein 0.0019 0.0245 0.0921
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0019 0.0245 0.0351
Trypanosoma brucei heat shock protein, putative 0.0096 0.3495 1
Onchocerca volvulus 0.0031 0.0748 0.0516
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0115 0.0329
Trichomonas vaginalis sensor histidine kinase, putative 0.0019 0.0245 0.0245
Leishmania major DNA topoisomerase ii 0.0019 0.0245 0.0702
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0748 0.1071
Echinococcus granulosus heat shock protein 90 0.0076 0.2664 0.3813
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.2043 0.1997
Toxoplasma gondii thioredoxin reductase 0.004 0.1105 0.3161
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0115 0.0165
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0115 0.0165
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.1105 0.3161
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0019 0.0245 0.0921
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0019 0.0245 0.0702
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0019 0.0245 0.0245
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0019 0.0245 0.0921
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0699 0.1001
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0019 0.0245 0.0663
Schistosoma mansoni endoplasmin 0.0096 0.3495 0.5002
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0019 0.0245 0.0702
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0076 0.2664 0.6999
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0019 0.0245 0.0663
Toxoplasma gondii heat shock protein 90, putative 0.0096 0.3495 1
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0019 0.0245 0.0351
Mycobacterium tuberculosis Probable dehydrogenase 0.009 0.327 0.8837
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.2128 0.3045
Schistosoma mansoni hypothetical protein 0.0177 0.6987 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0245 0.0135
Mycobacterium tuberculosis Possible two component sensor kinase 0.0019 0.0245 0.0663
Trypanosoma brucei trypanothione reductase 0.004 0.1105 0.3161
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.01 0.3701 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0019 0.0245 0.0351
Trypanosoma brucei heat shock protein, putative 0.0096 0.3495 1
Echinococcus multilocularis heat shock protein 90 0.0076 0.2664 0.3813
Mycobacterium ulcerans heat shock protein 90 0.0076 0.2664 1
Plasmodium vivax glutathione reductase, putative 0.004 0.1105 0.3161
Echinococcus multilocularis lysine specific demethylase 5A 0.0062 0.2043 0.2923
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Plasmodium vivax endoplasmin, putative 0.0096 0.3495 1
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0016 0.0115 0.0329
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.2128 0.3045
Toxoplasma gondii Hsp90 domain-containing protein 0.0039 0.1086 0.3108
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0019 0.0245 0.0245
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0019 0.0245 0.0663
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0076 0.2664 0.3813
Leishmania major hypothetical protein, conserved 0.0016 0.0115 0.0329
Loa Loa (eye worm) heat shock protein 90 0.0096 0.3495 0.3503
Loa Loa (eye worm) endoplasmin 0.0096 0.3495 0.3503
Trypanosoma cruzi heat shock protein 90, putative 0.0076 0.2664 0.7622
Trichomonas vaginalis receptor histidine kinase, putative 0.0019 0.0245 0.0245
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0019 0.0245 1
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0019 0.0245 0.0663
Leishmania major hypothetical protein, conserved 0.0019 0.0245 0.0702
Schistosoma mansoni jumonji domain containing protein 0.0062 0.2043 0.2923
Mycobacterium tuberculosis Conserved protein 0.0019 0.0245 0.0663
Plasmodium falciparum heat shock protein 90, putative 0.0039 0.1086 0.3108
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.1127 0.1613
Trypanosoma brucei heat shock protein, putative 0.0096 0.3495 1
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0748 0.1071
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0019 0.0245 0.0663
Brugia malayi jmjC domain containing protein 0.0016 0.0115 0.0118
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0039 0.1086 0.0862
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0019 0.0245 0.0663
Mycobacterium tuberculosis Probable two component sensor kinase 0.0019 0.0245 0.0663
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0019 0.0245 0.0921
Brugia malayi glutathione reductase 0.004 0.1105 0.1131
Trypanosoma brucei heat shock protein 90, putative 0.0096 0.3495 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0019 0.0245 0.0702
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0062 0.2043 0.2923
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0019 0.0245 0.0702
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0039 0.1086 0.1555
Trypanosoma cruzi heat shock protein 85, putative 0.0076 0.2664 0.7622
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.2128 0.3045
Plasmodium falciparum JmjC domain-containing protein, putative 0.0016 0.0115 0.0329
Schistosoma mansoni hypothetical protein 0.0177 0.6987 1
Plasmodium falciparum glutathione reductase 0.004 0.1105 0.3161
Leishmania major developmentally regulated phosphoprotein-like protein 0.0019 0.0245 0.0702
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0115 0.0165
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0115 0.0165
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0019 0.0245 0.0351
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.2043 0.2923
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Echinococcus granulosus heat shock protein 90 0.0096 0.3495 0.5002
Toxoplasma gondii heat shock protein 75, putative 0.0039 0.1086 0.3108
Echinococcus multilocularis heat shock protein 0.0096 0.3495 0.5002
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0019 0.0245 0.0663
Echinococcus granulosus endoplasmin 0.0076 0.2664 0.3813
Giardia lamblia Grp94/Hsp90 0.0076 0.2664 0.7622
Toxoplasma gondii heat shock protein HSP90 0.0096 0.3495 1
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0115 0.0165
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.2128 0.6088
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0019 0.0245 0.0245
Schistosoma mansoni pyruvate dehydrogenase 0.0019 0.0245 0.0351
Plasmodium falciparum heat shock protein 90, putative 0.0039 0.1086 0.3108
Leishmania major trypanothione reductase 0.004 0.1105 0.3161
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0019 0.0245 0.0921
Brugia malayi jmjC domain containing protein 0.0062 0.2043 0.2092
Chlamydia trachomatis DNA gyrase subunit B 0.0019 0.0245 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0245 0.0135
Trypanosoma brucei heat shock protein 90, putative 0.0096 0.3495 1
Plasmodium vivax SET domain protein, putative 0.0031 0.0748 0.2141
Plasmodium vivax thioredoxin reductase, putative 0.004 0.1105 0.3161
Echinococcus granulosus geminin 0.0177 0.6987 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.01 0.3701 1
Trichomonas vaginalis heat shock protein, putative 0.0059 0.1917 0.1917
Trypanosoma brucei heat shock protein, putative 0.0096 0.3495 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0096 0.3495 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0019 0.0245 0.0702
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0062 0.2043 0.2923
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0039 0.1086 0.2588
Leishmania major mitochondrial DNA topoisomerase II 0.0019 0.0245 0.0702
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.2043 0.2923
Trichomonas vaginalis heat shock protein, putative 0.0076 0.2664 0.2664
Mycobacterium tuberculosis Probable reductase 0.009 0.327 0.8837
Echinococcus multilocularis geminin 0.0177 0.6987 1
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.1127 0.1613
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0019 0.0245 0.0921
Entamoeba histolytica heat shock protein 90, putative 0.0096 0.3495 1
Brugia malayi jmjC domain containing protein 0.0016 0.0115 0.0118
Leishmania major heat shock protein 83-1 0.0096 0.3495 1
Plasmodium vivax hypothetical protein, conserved 0.0019 0.0245 0.0702
Brugia malayi Thioredoxin reductase 0.004 0.1105 0.1131
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.009 0.327 0.8837

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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