Detailed information for compound 1173054

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 326.794 | Formula: C16H20ClFN2O2
  • H donors: 1 H acceptors: 2 LogP: 2.72 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CN1C(=O)CC[C@H]1C(=O)NCc1ccc(cc1Cl)F)C
  • InChi: 1S/C16H20ClFN2O2/c1-10(2)9-20-14(5-6-15(20)21)16(22)19-8-11-3-4-12(18)7-13(11)17/h3-4,7,10,14H,5-6,8-9H2,1-2H3,(H,19,22)/t14-/m0/s1
  • InChiKey: WKNSNVAXUIHRLD-AWEZNQCLSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens purinergic receptor P2X, ligand-gated ion channel, 7 Starlite/ChEMBL 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0043 0.0134 0.1272
Plasmodium falciparum thioredoxin reductase 0.047 0.3019 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0077 0.0359 0.1012
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.0046 0.0115
Treponema pallidum NADH oxidase 0.0163 0.0943 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0032 0.006 0.0148
Echinococcus multilocularis Smad4 0.0042 0.0128 0.0147
Schistosoma mansoni cellular tumor antigen P53 0.0154 0.0882 0.0827
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0096 0.0036
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0043 0.0134 0.0156
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.1191 0.7899 1
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0043 0.0134 0.0251
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0163 0.0943 0.2984
Trichomonas vaginalis apoptosis inducing factor, putative 0.0043 0.0134 0.1272
Trichomonas vaginalis mercuric reductase, putative 0.0163 0.0943 1
Echinococcus multilocularis tar DNA binding protein 0.0393 0.2504 0.358
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0043 0.0134 0.1272
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0096 0.0492 0.1555
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0163 0.0943 0.2984
Trichomonas vaginalis PIKK family atypical protein kinase 0.0096 0.0492 0.5133
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0026 0.0065
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.023 0.231
Trichomonas vaginalis glutamate synthase, putative 0.0043 0.0134 0.1272
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0043 0.0134 0.0331
Brugia malayi RNA recognition motif domain containing protein 0.0393 0.2504 0.6192
Schistosoma mansoni sulfide quinone reductase 0.0043 0.0134 0.0075
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0315 0.0257
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0043 0.0134 0.0137
Trypanosoma cruzi trypanothione reductase, putative 0.047 0.3019 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0096 0.0492 0.0435
Brugia malayi MH1 domain containing protein 0.0042 0.0128 0.0316
Schistosoma mansoni glutamate synthase 0.0043 0.0134 0.0075
Echinococcus multilocularis lamin 0.0056 0.0224 0.0286
Schistosoma mansoni smad 0.0042 0.0128 0.0069
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0214 0.0529
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0163 0.0943 0.2332
Leishmania major phosphatidylinositol 3-kinase, putative 0.0032 0.006 0.0111
Loa Loa (eye worm) hypothetical protein 0.0055 0.0214 0.0529
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0163 0.0943 0.2984
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.0315 0.0964
Schistosoma mansoni intermediate filament proteins 0.0056 0.0224 0.0165
Mycobacterium ulcerans ferredoxin reductase 0.0043 0.0134 0.1174
Mycobacterium leprae PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE) 0.0043 0.0134 0.0137
Onchocerca volvulus 0.0154 0.0882 1
Leishmania major NADH dehydrogenase, putative 0.0043 0.0134 0.0359
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.0315 0.0417
Toxoplasma gondii target of rapamycin (TOR), putative 0.0071 0.0325 0.0663
Echinococcus multilocularis microtubule associated protein 2 0.0714 0.4674 0.6717
Trichomonas vaginalis PIKK family atypical protein kinase 0.0096 0.0492 0.5133
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0192 0.19
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0134 0.0251
Loa Loa (eye worm) hypothetical protein 0.0027 0.0026 0.0065
Echinococcus multilocularis smad 0.0042 0.0128 0.0147
Echinococcus granulosus lamin dm0 0.0056 0.0224 0.0286
Trichomonas vaginalis PIKK family atypical protein kinase 0.0064 0.0278 0.2824
Giardia lamblia NADH oxidase lateral transfer candidate 0.0163 0.0943 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0163 0.0943 0.2984
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0043 0.0134 0.0156
Mycobacterium tuberculosis Putative ferredoxin reductase 0.1071 0.709 0.8973
Echinococcus multilocularis thioredoxin glutathione reductase 0.0473 0.3044 0.4361
Trypanosoma brucei NADH dehydrogenase 0.0043 0.0134 0.0251
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0163 0.0943 0.2803
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.1071 0.709 0.8973
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0163 0.0943 0.2984
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0045 0.0149 0.0302
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0043 0.0134 0.1272
Loa Loa (eye worm) hypothetical protein 0.0026 0.0019 0.0047
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0163 0.0943 0.2984
Echinococcus granulosus intermediate filament protein 0.0056 0.0224 0.0286
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0043 0.0134 0.0137
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0163 0.0943 0.1325
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0043 0.0134 0.0251
Trichomonas vaginalis PIKK family atypical protein kinase 0.0082 0.0397 0.4107
Loa Loa (eye worm) RNA binding protein 0.0393 0.2504 0.6192
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0043 0.0134 0.2311
Loa Loa (eye worm) hypothetical protein 0.0056 0.0224 0.0554
Schistosoma mansoni sulfide quinone reductase 0.0043 0.0134 0.0075
Brugia malayi Thioredoxin reductase 0.047 0.3019 0.7467
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0325 0.3336
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0163 0.0943 0.3062
Trichomonas vaginalis glutathione reductase, putative 0.0163 0.0943 1
Brugia malayi MH1 domain containing protein 0.0042 0.0128 0.0316
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0043 0.0134 0.1272
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0096 0.0492 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0096 0.0238
Echinococcus multilocularis lamin dm0 0.0056 0.0224 0.0286
Schistosoma mansoni P2X receptor subunit 0.0082 0.0396 0.0339
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0214 0.0529
Trypanosoma brucei trypanothione reductase 0.047 0.3019 1
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.0043 0.0134 0.0137
Onchocerca volvulus 0.0043 0.0134 0.1258
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0096 0.0101
Schistosoma mansoni glutamate synthase 0.0043 0.0134 0.0075
Brugia malayi glutathione reductase 0.047 0.3019 0.7467
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0043 0.0134 0.1174
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0193 0.1906
Echinococcus granulosus p2X purinoceptor 4 0.0082 0.0396 0.0535
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.1191 0.7899 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0043 0.0134 0.0331
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0043 0.0134 0.1272
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0026 0.0065
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0043 0.0134 0.1174
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0043 0.0134 0.0156
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0032 0.006 0.0148
Loa Loa (eye worm) MH2 domain-containing protein 0.0621 0.4044 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0325 0.3336
Echinococcus granulosus smad 0.0042 0.0128 0.0147
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0043 0.0134 0.1174
Entamoeba histolytica hypothetical protein 0.0038 0.0096 0.1493
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0096 0.0492 1
Schistosoma mansoni glutamate synthase 0.0043 0.0134 0.0075
Schistosoma mansoni smad1 5 8 and 0.0042 0.0128 0.0069
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0315 0.3147
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0043 0.0134 0.0251
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0043 0.0134 0.0359
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0042 0.0128 0.0147
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0325 0.3336
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.047 0.3019 0.3802
Giardia lamblia GTOR 0.0096 0.0492 0.4424
Schistosoma mansoni P2X receptor subunit 0.0082 0.0396 0.0339
Loa Loa (eye worm) transcription factor SMAD2 0.0621 0.4044 1
Trypanosoma cruzi NADH dehydrogenase, putative 0.0043 0.0134 0.0251
Loa Loa (eye worm) Smad1 0.0042 0.0128 0.0316
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0043 0.0134 0.2311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0264 0.2672
Onchocerca volvulus 0.0056 0.0224 0.2309
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.006 0.047
Echinococcus multilocularis p2X purinoceptor 4 0.0082 0.0396 0.0535
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.012 0.0651 0.1609
Loa Loa (eye worm) phosphatidylinositol 3 0.0096 0.0492 0.1216
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0042 0.0128 0.0069
Brugia malayi hypothetical protein 0.0038 0.0096 0.0237
Loa Loa (eye worm) hypothetical protein 0.0043 0.0134 0.0331
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0934 0.616 0.8864
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.006 0.047
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0043 0.0134 0.0331
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0163 0.0943 0.0888
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0043 0.0134 0.0251
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0315 0.3147
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0163 0.0943 0.2984
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0043 0.0134 0.0137
Mycobacterium tuberculosis Probable dehydrogenase 0.1071 0.709 0.8973
Echinococcus multilocularis glutamate synthase 0.0043 0.0134 0.0156
Toxoplasma gondii thioredoxin reductase 0.047 0.3019 1
Echinococcus granulosus lamin 0.0056 0.0224 0.0286
Mycobacterium tuberculosis Probable reductase 0.1071 0.709 0.8973
Plasmodium vivax glutathione reductase, putative 0.047 0.3019 1
Mycobacterium ulcerans glutamate synthase subunit beta 0.0043 0.0134 0.1174
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0163 0.0943 0.2803
Onchocerca volvulus 0.0056 0.0224 0.2309
Trichomonas vaginalis PIKK family atypical protein kinase 0.0096 0.0492 0.5133
Loa Loa (eye worm) hypothetical protein 0.0055 0.0217 0.0536
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0325 0.3336
Mycobacterium tuberculosis Probable oxidoreductase 0.1191 0.7899 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0026 0.0065
Brugia malayi intermediate filament protein 0.0056 0.0224 0.0554
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0193 0.1906
Trypanosoma cruzi trypanothione reductase, putative 0.0163 0.0943 0.2984
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0043 0.0134 0.1174
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0192 0.19
Schistosoma mansoni lamin 0.0056 0.0224 0.0165
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0193 0.1906
Loa Loa (eye worm) MH1 domain-containing protein 0.0042 0.0128 0.0316
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0163 0.0943 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0163 0.0943 1
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0043 0.0134 0.0156
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0163 0.0943 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.0359 0.3698
Schistosoma mansoni hypothetical protein 0.0043 0.0134 0.0075
Echinococcus multilocularis p2X purinoceptor 4 0.0082 0.0396 0.0535
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.0359 0.3698
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.004 0.0112 0.0176
Plasmodium falciparum glutathione reductase 0.047 0.3019 1
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0043 0.0134 0.0359
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0043 0.0134 0.0137
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0096 0.0492 0.1216
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.0359 0.3698
Loa Loa (eye worm) glutathione reductase 0.047 0.3019 0.7467
Brugia malayi TAR-binding protein 0.0393 0.2504 0.6192
Entamoeba histolytica disulphide oxidoreductase, putative 0.0043 0.0134 0.2311
Loa Loa (eye worm) hypothetical protein 0.0026 0.0019 0.0047
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0163 0.0943 0.2984
Schistosoma mansoni smad1 5 8 and 0.0042 0.0128 0.0069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0192 0.19
Schistosoma mansoni hypothetical protein 0.0038 0.0096 0.0036
Mycobacterium ulcerans hypothetical protein 0.0043 0.0134 0.1174
Echinococcus granulosus Smad4 0.0042 0.0128 0.0147
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.0315 0.3147
Loa Loa (eye worm) hypothetical protein 0.0027 0.0026 0.0065
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.0226 0.2268
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.0226 0.2268
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.1071 0.709 0.8973
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.012 0.0651 0.1609
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0032 0.006 0.0111
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0043 0.0134 0.0331
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0043 0.0134 0.2311
Mycobacterium leprae Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE) 0.0043 0.0134 0.0137
Schistosoma mansoni tar DNA-binding protein 0.0393 0.2504 0.2459
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.1071 0.709 0.8973
Schistosoma mansoni tar DNA-binding protein 0.0393 0.2504 0.2459
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0043 0.0134 0.0156
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0163 0.0943 0.2984
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0163 0.0943 0.2984
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0096 0.0492 0.146
Mycobacterium ulcerans NADH dehydrogenase 0.0043 0.0134 0.1174
Echinococcus granulosus glutamate synthase 0.0043 0.0134 0.0156
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0214 0.0529
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0163 0.0943 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0163 0.0943 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0163 0.0943 0.3062
Echinococcus granulosus mothers against decapentaplegic 5 0.0042 0.0128 0.0147
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.0359 0.3698
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0043 0.0134 0.1272
Echinococcus multilocularis p2X purinoceptor 4 0.0082 0.0396 0.0535
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0163 0.0943 0.2803
Schistosoma mansoni Smad4 0.0042 0.0128 0.0069
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0096 0.0492 0.0673
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0134 0.0251
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0077 0.0359 0.1012
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0096 0.0492 0.146
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0043 0.0134 0.0137
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0032 0.006 0.0049
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.0315 0.0366
Echinococcus granulosus microtubule associated protein 2 0.0714 0.4674 0.6717
Leishmania major hypothetical protein, conserved 0.0043 0.0134 0.0359
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0163 0.0943 0.2984
Entamoeba histolytica hypothetical protein 0.0038 0.0096 0.1493
Brugia malayi glutamate synthase 0.0043 0.0134 0.0331
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.0315 0.0417
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0043 0.0134 0.1174
Plasmodium falciparum thioredoxin reductase 0.0163 0.0943 0.2803
Schistosoma mansoni tar DNA-binding protein 0.0393 0.2504 0.2459
Plasmodium falciparum glutathione reductase 0.0163 0.0943 0.2803
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0043 0.0134 0.0137
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.1191 0.7899 1
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0043 0.0134 0.0251
Loa Loa (eye worm) hypothetical protein 0.0154 0.0882 0.218
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0032 0.006 0.0049
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0163 0.0943 0.1164
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0393 0.2504 0.6192
Brugia malayi MH2 domain containing protein 0.0042 0.0128 0.0316
Brugia malayi MH2 domain containing protein 0.0042 0.0128 0.0316
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0096 0.0492 0.146
Schistosoma mansoni smad1 5 8 and 0.0042 0.0128 0.0069
Echinococcus granulosus p2X purinoceptor 4 0.0082 0.0396 0.0535
Echinococcus granulosus thioredoxin glutathione reductase 0.0473 0.3044 0.4361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0325 0.3336
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0043 0.0134 0.0156
Echinococcus multilocularis tumor protein p63 0.105 0.6946 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0026 0.0065
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0043 0.0134 0.0251
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.023 0.231
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0043 0.0134 0.1272
Mycobacterium leprae Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0043 0.0134 0.0137
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0096 0.0101
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0043 0.0134 0.0251
Leishmania major trypanothione reductase 0.047 0.3019 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0134 0.0251
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0325 0.3336
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0043 0.0134 0.1272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0325 0.3336
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0163 0.0943 0.2803
Mycobacterium ulcerans dehydrogenase 0.0043 0.0134 0.1174
Leishmania major hypothetical protein, conserved 0.0043 0.0134 0.0359
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.006 0.047
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0315 0.0257
Schistosoma mansoni P2X receptor subunit 0.0082 0.0396 0.0339
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0043 0.0134 0.1174
Loa Loa (eye worm) MH2 domain-containing protein 0.0042 0.0128 0.0316
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0163 0.0943 0.3062
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0163 0.0943 0.1325
Entamoeba histolytica hypothetical protein 0.0038 0.0096 0.1493
Echinococcus granulosus TGF beta signal transducer SmadC 0.0042 0.0128 0.0147
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0043 0.0134 0.0156
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0096 0.0492 0.0673
Schistosoma mansoni hypothetical protein 0.0038 0.0096 0.0037
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0077 0.0359 0.1112
Brugia malayi RNA binding protein 0.0393 0.2504 0.6192
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0043 0.0134 0.0156
Schistosoma mansoni P2X receptor subunit 0.0082 0.0396 0.0339
Trypanosoma cruzi NADH dehydrogenase, putative 0.0043 0.0134 0.0251
Schistosoma mansoni tar DNA-binding protein 0.0393 0.2504 0.2459
Echinococcus granulosus p2X purinoceptor 4 0.0082 0.0396 0.0535
Loa Loa (eye worm) hypothetical protein 0.0027 0.0026 0.0065
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0043 0.0134 0.0156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.006 0.047
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.0193 0.1906
Loa Loa (eye worm) TAR-binding protein 0.0393 0.2504 0.6192
Brugia malayi Intermediate filament tail domain containing protein 0.0056 0.0224 0.0554
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.006 0.047
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0043 0.0134 0.0251
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0043 0.0134 0.1174
Mycobacterium ulcerans monoxygenase 0.0043 0.0134 0.1174
Loa Loa (eye worm) thioredoxin reductase 0.047 0.3019 0.7467
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0043 0.0134 0.1272
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0043 0.0134 0.2311
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0043 0.0134 0.0156
Loa Loa (eye worm) intermediate filament protein 0.0056 0.0224 0.0554
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0096 0.0238
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.023 0.231
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0163 0.0943 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0043 0.0134 0.0156
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0163 0.0943 1
Schistosoma mansoni disulfide oxidoreductase 0.0043 0.0134 0.0075
Trichomonas vaginalis glutamate synthase, putative 0.0043 0.0134 0.1272
Plasmodium vivax thioredoxin reductase, putative 0.047 0.3019 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0046 0.0115
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0096 0.0492 0.146
Leishmania major hypothetical protein, conserved 0.0043 0.0134 0.0359
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0163 0.0943 0.2984
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0096 0.0492 0.1555
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0163 0.0943 0.3062
Entamoeba histolytica thioredoxin reductase, putative 0.0043 0.0134 0.2311
Brugia malayi Smad1 0.0042 0.0128 0.0316
Schistosoma mansoni lamin 0.0056 0.0224 0.0165
Echinococcus granulosus tar DNA binding protein 0.0393 0.2504 0.358
Echinococcus multilocularis musashi 0.0056 0.0224 0.0286
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0043 0.0134 0.2311
Schistosoma mansoni microtubule-associated protein tau 0.0714 0.4674 0.4642
Echinococcus multilocularis mothers against decapentaplegic 5 0.0042 0.0128 0.0147
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0043 0.0134 0.0156
Toxoplasma gondii NADPH-glutathione reductase 0.0163 0.0943 0.2803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.0359 0.3698
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.0315 0.0627
Loa Loa (eye worm) programmed cell death 8 0.0043 0.0134 0.0331
Echinococcus granulosus tumor protein p63 0.105 0.6946 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0056 0.0224 0.0554
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0043 0.0134 0.1272
Schistosoma mansoni tar DNA-binding protein 0.0393 0.2504 0.2459
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.1071 0.709 0.8973
Brugia malayi MH2 domain containing protein 0.0621 0.4044 1
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0043 0.0134 0.0251
Entamoeba histolytica hypothetical protein 0.0038 0.0096 0.1493

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.4 Inhibition of human P2X7 receptor by ethidium bromide release assay ChEMBL. 20673717
IC50 (binding) = 6.4 SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860 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

1 literature reference was collected for this gene.

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