Detailed information for compound 596476

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 584.191 | Formula: C36H42ClN3O2
  • H donors: 3 H acceptors: 1 LogP: 7.8 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)CCNC(Cc1ccc(cc1)C(=O)Nc1ccc(cc1)CC(NCCc1cccc(c1)Cl)C)C
  • InChi: 1S/C36H42ClN3O2/c1-26(38-21-19-28-11-17-35(42-3)18-12-28)23-30-7-13-32(14-8-30)36(41)40-34-15-9-31(10-16-34)24-27(2)39-22-20-29-5-4-6-33(37)25-29/h4-18,25-27,38-39H,19-24H2,1-3H3,(H,40,41)
  • InChiKey: XEUBLCSMUGHTPV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0654 0.0642
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.1138 0.1127
Echinococcus multilocularis pyruvate kinase 0.0017 0.0125 0.0113
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.1301 0.1635
Schistosoma mansoni cpg binding protein 0.0028 0.0402 0.0306
Onchocerca volvulus 0.0049 0.0961 0.111
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0619 0.935
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0118 0.0193
Schistosoma mansoni hypothetical protein 0.0048 0.0921 0.083
Brugia malayi TAR-binding protein 0.0127 0.2967 0.5059
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0619 0.6114
Giardia lamblia Pyruvate kinase 0.0034 0.055 0.8058
Echinococcus multilocularis lamin 0.0027 0.0372 0.036
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0118 0.0019
Echinococcus multilocularis muscleblind protein 0.0145 0.3447 0.3439
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0619 0.0525
Onchocerca volvulus 0.0028 0.0402 0.0056
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0619 0.0294
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0099 0.0087
Plasmodium falciparum importin beta, putative 0.003 0.0453 0.4162
Schistosoma mansoni hypothetical protein 0.0397 1 1
Schistosoma mansoni pyruvate kinase 0.0034 0.055 0.0455
Schistosoma mansoni hypothetical protein 0.0048 0.0921 0.083
Echinococcus multilocularis cpg binding protein 0.0029 0.0443 0.0431
Echinococcus granulosus importin subunit beta 1 0.003 0.0453 0.0441
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0118 0.0106
Schistosoma mansoni hypothetical protein 0.0168 0.4045 0.3985
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0118 0.0222
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0654 1
Echinococcus granulosus pyruvate kinase 0.0017 0.0125 0.0113
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.095 0.1193
Mycobacterium leprae Probable lipase LipE 0.0036 0.0619 0.0294
Echinococcus multilocularis pyruvate kinase 0.0017 0.0125 0.0113
Plasmodium vivax importin-beta 2, putative 0.003 0.0453 0.4162
Schistosoma mansoni ap endonuclease 0.0038 0.0654 0.056
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0446 0.0351
Trypanosoma brucei pyruvate kinase 1 0.0034 0.055 0.53
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0018 0.0141 0.0128
Brugia malayi jmjC domain containing protein 0.0016 0.0099 0.0167
Echinococcus granulosus muscleblind protein 0.0145 0.3447 0.3439
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0038 0.0654 0.0961
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0921 0.0909
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0939 0.16
Echinococcus granulosus geminin 0.0168 0.4045 0.4037
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0619 0.0607
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0118 0.0222
Onchocerca volvulus 0.0036 0.0619 0.0466
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0619 0.0902
Echinococcus granulosus lamin dm0 0.0027 0.0372 0.036
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0118 0.0222
Schistosoma mansoni survival motor neuron protein 0.0049 0.0939 0.0848
Trypanosoma brucei trypanothione reductase 0.0049 0.095 1
Plasmodium vivax glutathione reductase, putative 0.0049 0.095 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0118 0.0222
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0619 0.0898
Echinococcus granulosus pyruvate kinase 0.0017 0.0125 0.0113
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0118 0.0222
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.5695 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.258 0.4414
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.055 0.0778
Leishmania major pyruvate kinase 0.0034 0.055 0.53
Echinococcus multilocularis snurportin 1 0.0319 0.796 0.7958
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.1138 0.1127
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0654 0.6524
Mycobacterium tuberculosis Conserved protein 0.0036 0.0619 0.0898
Loa Loa (eye worm) hypothetical protein 0.0036 0.0619 0.0778
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0151 0.3608 0.4532
Mycobacterium ulcerans pyruvate kinase 0.0034 0.055 0.8058
Echinococcus multilocularis muscleblind protein 1 0.0145 0.3447 0.3439
Loa Loa (eye worm) hypothetical protein 0.0238 0.5863 0.7366
Loa Loa (eye worm) hypothetical protein 0.0036 0.0619 0.0778
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.1138 0.105
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0619 0.6114
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0961 0.087
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0099 0.0087
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0319 0.796 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0619 0.0778
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0654 1
Schistosoma mansoni jumonji domain containing protein 0.0061 0.126 0.1172
Brugia malayi beta-lactamase family protein 0.0036 0.0619 0.1054
Mycobacterium ulcerans lipase LipD 0.0036 0.0619 0.935
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0619 0.6114
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0619 0.6114
Leishmania major hypothetical protein, conserved 0.0036 0.0619 0.6114
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0118 0.0222
Loa Loa (eye worm) hypothetical protein 0.0036 0.0619 0.0778
Echinococcus granulosus lysine specific demethylase 5A 0.0062 0.1301 0.129
Leishmania major trypanothione reductase 0.0049 0.095 1
Schistosoma mansoni lamin 0.0027 0.0372 0.0276
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0961 0.111
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0654 0.6524
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0306 0.0339
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0654 0.6524
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0921 0.1569
Loa Loa (eye worm) hypothetical protein 0.0016 0.0099 0.0125
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0118 0.0193
Loa Loa (eye worm) hypothetical protein 0.0145 0.3447 0.4331
Onchocerca volvulus 0.0049 0.0939 0.1069
Loa Loa (eye worm) pyruvate kinase 0.0034 0.055 0.0691
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0446 0.0351
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2967 0.2897
Echinococcus granulosus tar DNA binding protein 0.0127 0.2967 0.2958
Echinococcus multilocularis GPCR, family 2 0.0048 0.0921 0.0909
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0306 0.0339
Loa Loa (eye worm) hypothetical protein 0.0013 0.0013 0.0016
Brugia malayi jmjC domain containing protein 0.0016 0.0099 0.0167
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1078 1
Echinococcus multilocularis lamin dm0 0.0027 0.0372 0.036
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0921 0.0909
Brugia malayi Muscleblind-like protein 0.0145 0.3447 0.5878
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0099 0.0087
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.258 0.4414
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0118 0.0222
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0018 0.0141 0.0128
Loa Loa (eye worm) hypothetical protein 0.003 0.0453 0.0569
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0118 0.0106
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.095 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.055 0.0936
Schistosoma mansoni hypothetical protein 0.0319 0.796 0.794
Brugia malayi intermediate filament protein 0.0027 0.0372 0.0633
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.095 1
Loa Loa (eye worm) TAR-binding protein 0.0127 0.2967 0.3728
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.1301 0.1214
Plasmodium falciparum thioredoxin reductase 0.0049 0.095 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0372 0.0468
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0099 0.0087
Brugia malayi mbt repeat family protein 0.0049 0.0961 0.1637
Toxoplasma gondii thioredoxin reductase 0.0049 0.095 0.8687
Onchocerca volvulus 0.0036 0.0619 0.0466
Echinococcus granulosus pyruvate kinase 0.0034 0.055 0.0538
Echinococcus granulosus cpg binding protein 0.0029 0.0443 0.0431
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2967 0.2897
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.0654 1
Plasmodium vivax SET domain protein, putative 0.003 0.0446 0.4083
Loa Loa (eye worm) RNA binding protein 0.0127 0.2967 0.3728
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.055 0.0335
Plasmodium falciparum pyruvate kinase 2 0.0017 0.0125 0.0305
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.095 0.0938
Brugia malayi CXXC zinc finger family protein 0.0028 0.0402 0.0684
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0286 0.0359
Loa Loa (eye worm) hypothetical protein 0.0036 0.0619 0.0778
Mycobacterium ulcerans beta-lactamase 0.0036 0.0619 0.935
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0118 0.02
Brugia malayi jmjC domain containing protein 0.0062 0.1301 0.2218
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0619 0.0525
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.1138 0.1127
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0654 0.0642
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.055 0.0774
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0619 0.0778
Plasmodium falciparum glutathione reductase 0.0049 0.095 1
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0306 0.0339
Onchocerca volvulus 0.003 0.0446 0.014
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0654 0.0965
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0654 0.6524
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.4946 0.6213
Schistosoma mansoni hypothetical protein 0.0049 0.0939 0.0848
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0619 0.0898
Echinococcus multilocularis pyruvate kinase 0.0034 0.055 0.0538
Brugia malayi jmjC domain containing protein 0.0016 0.0099 0.0167
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0619 0.0902
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0118 0.0222
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0124 0.2903 0.4995
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0619 0.0902
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.258 0.4414
Schistosoma mansoni lamin 0.0027 0.0372 0.0276
Schistosoma mansoni hypothetical protein 0.0168 0.4045 0.3985
Schistosoma mansoni hypothetical protein 0.0308 0.7677 0.7654
Loa Loa (eye worm) pyruvate kinase 0.0034 0.055 0.0691
Brugia malayi RNA, U transporter 1 0.0085 0.1884 0.3211
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.1138 0.194
Brugia malayi hypothetical protein 0.0238 0.5863 1
Brugia malayi beta-lactamase family protein 0.0036 0.0619 0.1054
Brugia malayi jmjC domain containing protein 0.0016 0.0099 0.0167
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0453 0.4162
Loa Loa (eye worm) glutathione reductase 0.0049 0.095 0.1193
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0619 0.0607
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.258 0.4414
Plasmodium falciparum pyruvate kinase 0.0034 0.055 0.53
Plasmodium vivax pyruvate kinase, putative 0.0034 0.055 0.53
Echinococcus multilocularis musashi 0.0027 0.0372 0.036
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.005 0.0062
Schistosoma mansoni hypothetical protein 0.0048 0.0921 0.083
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0124 0.2903 0.4995
Loa Loa (eye worm) hypothetical protein 0.0036 0.0619 0.0778
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0099 0.0125
Loa Loa (eye worm) hypothetical protein 0.0026 0.036 0.0452
Loa Loa (eye worm) hypothetical protein 0.0151 0.3608 0.4532
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0654 0.1114
Schistosoma mansoni ap endonuclease 0.0038 0.0654 0.056
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0446 0.0351
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.1301 0.1214
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.055 0.0335
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0453 0.4162
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0118 0.0222
Echinococcus granulosus GPCR family 2 0.0048 0.0921 0.0909
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0654 0.0822
Onchocerca volvulus 0.0036 0.0619 0.0466
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0099 0.0125
Echinococcus granulosus pyruvate kinase 0.0017 0.0125 0.0113
Schistosoma mansoni pyruvate kinase 0.0017 0.0125 0.0026
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1242 0.1155
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0961 0.0949
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0099 0.0087
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0118 0.0222
Brugia malayi glutathione reductase 0.0049 0.095 0.1618
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0453 0.3615
Plasmodium falciparum glutathione reductase 0.0017 0.0118 0.0222
Loa Loa (eye worm) hypothetical protein 0.0048 0.0921 0.1157
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2967 0.2897
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0446 0.3547
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0921 0.0909
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0124 0.2903 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0446 0.0434
Loa Loa (eye worm) hypothetical protein 0.0049 0.0961 0.1207
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0099 0.0125
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0372 0.0468
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0118 0.0222
Loa Loa (eye worm) beta-lactamase 0.0036 0.0619 0.0778
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0619 0.0898
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.2967 0.3728
Echinococcus multilocularis importin subunit beta 1 0.003 0.0453 0.0441
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0118 0.0222
Brugia malayi beta-lactamase 0.0036 0.0619 0.1054
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0619 0.0898
Loa Loa (eye worm) hypothetical protein 0.0145 0.3447 0.4331
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0402 0.0505
Loa Loa (eye worm) hypothetical protein 0.0016 0.0099 0.0125
Echinococcus granulosus lamin 0.0027 0.0372 0.036
Schistosoma mansoni intermediate filament proteins 0.0027 0.0372 0.0276
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0619 0.0902
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0118 0.0222
Mycobacterium tuberculosis Conserved protein 0.0036 0.0619 0.0898
Schistosoma mansoni pyruvate kinase 0.0034 0.055 0.0455
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.258 0.4414
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0961 0.0949
Schistosoma mansoni cpg binding protein 0.0029 0.0443 0.0348
Brugia malayi Calcitonin receptor-like protein seb-1 0.0151 0.3608 0.6152
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.055 0.4604
Schistosoma mansoni importin beta-1 0.003 0.0453 0.0357
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.095 0.1491
Echinococcus granulosus phd:f box containing protein 0.0016 0.0099 0.0087
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0961 0.1207
Mycobacterium tuberculosis Probable reductase 0.0112 0.258 0.4414
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0061 0.126 0.1249
Mycobacterium ulcerans hypothetical protein 0.0036 0.0619 0.935
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0118 0.0222
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0446 0.0434
Brugia malayi RNA binding protein 0.0127 0.2967 0.5059
Brugia malayi Pre-SET motif family protein 0.0203 0.4946 0.8434
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0619 0.935
Entamoeba histolytica hypothetical protein 0.0024 0.0306 0.0558
Leishmania major importin beta-1 subunit, putative 0.0024 0.0306 0.2436
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0372 0.0468
Schistosoma mansoni hypothetical protein 0.0103 0.2364 0.2288
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0654 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0654 0.6524
Chlamydia trachomatis pyruvate kinase 0.0034 0.055 1
Echinococcus granulosus snurportin 1 0.0319 0.796 0.7958
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0202 0.4932 0.4926
Echinococcus granulosus pyruvate kinase 0.0034 0.055 0.0538
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2967 0.2897
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0619 0.0902
Onchocerca volvulus 0.0231 0.5671 1
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.055 0.0778
Plasmodium vivax pyruvate kinase 2, putative 0.0017 0.0125 0.0305
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0118 0.0222
Giardia lamblia Pyruvate kinase 0.0017 0.0125 0.0131
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0619 0.1054
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0654 0.6524
Mycobacterium tuberculosis Conserved protein 0.0036 0.0619 0.0898
Loa Loa (eye worm) hypothetical protein 0.0023 0.0286 0.0359
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0619 0.0898
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0619 0.0898
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0099 0.0087
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0961 0.0949
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.005 0.0083
Echinococcus granulosus survival motor neuron protein 1 0.0238 0.5863 0.5858
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0118 0.0222
Loa Loa (eye worm) hypothetical protein 0.0034 0.055 0.0691
Echinococcus multilocularis pyruvate kinase 0.0026 0.0366 0.0354
Echinococcus granulosus intermediate filament protein 0.0027 0.0372 0.036
Echinococcus multilocularis survival motor neuron protein 1 0.0238 0.5863 0.5858
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.2967 0.5059
Echinococcus multilocularis tar DNA binding protein 0.0127 0.2967 0.2958
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.055 0.53
Echinococcus multilocularis lysine specific demethylase 5A 0.0061 0.126 0.1249
Brugia malayi mbt repeat family protein 0.0049 0.0961 0.1637
Loa Loa (eye worm) MBCTL1 0.0056 0.1138 0.143
Loa Loa (eye worm) hypothetical protein 0.003 0.0446 0.0561
Brugia malayi Pre-SET motif family protein 0.003 0.0446 0.076
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.2364 0.4031
Trichomonas vaginalis esterase, putative 0.0036 0.0619 0.0902
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0112 0.258 0.8624
Loa Loa (eye worm) hypothetical protein 0.0056 0.1138 0.143
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0118 0.0222
Schistosoma mansoni hypothetical protein 0.0048 0.0921 0.083
Schistosoma mansoni cpg binding protein 0.0029 0.0443 0.0348
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0921 0.0909
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.095 0.0938
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0306 0.2436
Echinococcus multilocularis pyruvate kinase 0.0034 0.055 0.0538
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0961 0.0949
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0921 0.1569
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0118 0.0222
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0961 0.087
Leishmania major pyruvate kinase 0.0034 0.055 0.53
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0654 0.0965
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0202 0.4932 0.4926
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0446 0.0351
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.1138 0.1127
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0118 0.0222
Toxoplasma gondii ABC1 family protein 0.0036 0.0619 0.5311
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.055 0.53
Toxoplasma gondii exonuclease III APE 0.0038 0.0654 0.5667
Mycobacterium tuberculosis Probable oxidoreductase 0.0124 0.2903 0.4995
Brugia malayi jmjC domain containing protein 0.0061 0.126 0.2147
Loa Loa (eye worm) hypothetical protein 0.0103 0.2364 0.297
Echinococcus multilocularis dnaJ subfamily B 0.0397 1 1
Loa Loa (eye worm) pyruvate kinase 0.0034 0.055 0.0691
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.055 0.0936
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0961 0.087
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0061 0.126 0.1249
Echinococcus multilocularis pyruvate kinase 0.0017 0.0125 0.0113
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2967 0.2897
Toxoplasma gondii pyruvate kinase PyKII 0.0017 0.0125 0.0265
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0118 0.0222
Brugia malayi Thioredoxin reductase 0.0049 0.095 0.1618
Echinococcus multilocularis geminin 0.0168 0.4045 0.4037
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0118 0.0222
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0921 0.1157
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.055 0.53
Trichomonas vaginalis set domain proteins, putative 0.0231 0.5671 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.0654 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0372 0.0633
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0619 0.0898
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0403 0.0391
Brugia malayi Importin beta-1 subunit 0.003 0.0453 0.0771
Loa Loa (eye worm) hypothetical protein 0.0016 0.0099 0.0125
Plasmodium falciparum thioredoxin reductase 0.0017 0.0118 0.0222
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.055 0.0335
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0099 0.0087
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0151 0.3608 0.6152
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0446 0.0434

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 0.32 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 3.92 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 12.96 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 89 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 99 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 100 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 9.86 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -10 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 89 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 99 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 101 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.61 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.24821 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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