Detailed information for compound 597795

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 557.607 | Formula: C29H34F3N5O3
  • H donors: 4 H acceptors: 5 LogP: 6.61 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.Cc1cccc(c1)CNc1nc(C)cc(n1)N[C@H](C(=O)NC1CCCC1)Cc1ccccc1
  • InChi: 1S/C27H33N5O.C2HF3O2/c1-19-9-8-12-22(15-19)18-28-27-29-20(2)16-25(32-27)31-24(17-21-10-4-3-5-11-21)26(33)30-23-13-6-7-14-23;3-2(4,5)1(6)7/h3-5,8-12,15-16,23-24H,6-7,13-14,17-18H2,1-2H3,(H,30,33)(H2,28,29,31,32);(H,6,7)/t24-;/m0./s1
  • InChiKey: BRJBAQGIDJQALR-JIDHJSLPSA-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
Leishmania major polypeptide deformylase-like protein, putative 0.0178 0.1137 1
Plasmodium vivax SET domain protein, putative 0.006 0.0316 0.0936
Giardia lamblia Kinase, CMGC MAPK 0.0056 0.0284 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0024 0.0083
Brugia malayi hypothetical protein 0.0179 0.1142 0.4026
Brugia malayi T-complex protein 1, beta subunit 0.0027 0.008 0.0281
Leishmania major DNA polymerase kappa, putative 0.0021 0.0042 0.037
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.0359 0.1138
Schistosoma mansoni Smad4 0.0017 0.0014 0.0014
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0056 0.0284 0.2497
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0056 0.0284 0.2497
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0024 0.0208
Schistosoma mansoni hypothetical protein 0.0067 0.0359 0.0359
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0178 0.1137 1
Trypanosoma brucei Peptide deformylase 2 0.0178 0.1137 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0359 0.1266
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0027 0.008 0.2352
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0024 0.0208
Onchocerca volvulus 0.006 0.0316 0.0478
Schistosoma mansoni microtubule-associated protein tau 0.145 1 1
Leishmania major cytochrome p450-like protein 0.0025 0.0067 0.0589
Schistosoma mansoni smad 0.0017 0.0014 0.0014
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0027 0.008 0.07
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0042 0.037
Loa Loa (eye worm) T-complex protein 1 0.0027 0.008 0.0281
Schistosoma mansoni hypothetical protein 0.0031 0.011 0.011
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0087 0.0277
Mycobacterium ulcerans peptide deformylase 0.0467 0.315 1
Echinococcus granulosus Smad4 0.0017 0.0014 0.0014
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0024 0.0024
Echinococcus granulosus mitogen activated protein kinase 0.0056 0.0284 0.0284
Loa Loa (eye worm) cytochrome P450 family protein 0.0057 0.0292 0.1028
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0316 0.0316
Echinococcus multilocularis GPCR, family 2 0.0031 0.011 0.011
Echinococcus granulosus mitogen activated protein kinase 3 0.0056 0.0284 0.0284
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0087 0.0203
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0042 0.0042
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0014 0.0014
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0014 0.0014
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.0284 0.2497
Echinococcus granulosus smad 0.0017 0.0014 0.0014
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0056 0.0284 0.1001
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0014 0.0048
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0067 0.0236
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.011 0.0386
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0359 0.0359
Entamoeba histolytica phosphofructokinase, putative 0.0053 0.0261 1
Echinococcus granulosus GPCR family 2 0.0031 0.011 0.011
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.0574 0.2024
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.011 0.011
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0042 0.0133
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0053 0.0261 0.0829
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0014 0.0014
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.011 0.011
Echinococcus multilocularis smad 0.0017 0.0014 0.0014
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0053 0.0261 0.2298
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0042 0.0148
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0042 0.037
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0284 0.0809
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0359 0.1138
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0042 0.037
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0056 0.0284 0.0901
Schistosoma mansoni smad1 5 8 and 0.0017 0.0014 0.0014
Trichomonas vaginalis phosphofructokinase, putative 0.0053 0.0261 0.0739
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0359 0.1138
Treponema pallidum polypeptide deformylase (def) 0.0467 0.315 1
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0359 0.0359
Trichomonas vaginalis phosphofructokinase, putative 0.0053 0.0261 0.0739
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0053 0.0261 0.0829
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0359 0.1266
Trypanosoma cruzi Peptide deformylase 2, putative 0.0178 0.1137 1
Onchocerca volvulus 0.048 0.3241 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0359 0.1138
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0301 0.0301
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0067 0.0236
Schistosoma mansoni 6-phosphofructokinase 0.0053 0.0261 0.0261
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.0574 0.2024
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0042 0.037
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0042 0.0057
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.011 0.011
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0027 0.008 0.008
Echinococcus multilocularis microtubule associated protein 2 0.145 1 1
Toxoplasma gondii hypothetical protein 0.0467 0.315 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0042 0.037
Echinococcus multilocularis mitogen activated protein kinase 3 0.0056 0.0284 0.0284
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0042 0.037
Trichomonas vaginalis set domain proteins, putative 0.048 0.3241 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0025 0.0067 0.0212
Schistosoma mansoni ap endonuclease 0.0019 0.0024 0.0024
Loa Loa (eye worm) MH2 domain-containing protein 0.0251 0.1643 0.5795
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.011 0.0386
Brugia malayi hypothetical protein 0.0028 0.0087 0.0308
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0467 0.315 1
Brugia malayi phosphofructokinase 0.0053 0.0261 0.0922
Brugia malayi Smad1 0.0017 0.0014 0.0048
Loa Loa (eye worm) 6-phosphofructokinase 0.0053 0.0261 0.0922
Brugia malayi MH1 domain containing protein 0.0017 0.0014 0.0048
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0014 0.0048
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0042 0.0774
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0042 0.0042
Loa Loa (eye worm) CYP4Cod1 0.0025 0.0067 0.0236
Brugia malayi Cytochrome P450 family protein 0.0025 0.0067 0.0236
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0024 0.0083
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0316 0.0316
Schistosoma mansoni DNA polymerase eta 0.0021 0.0042 0.0042
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0178 0.1137 1
Schistosoma mansoni hypothetical protein 0.0031 0.011 0.011
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0042 0.037
Loa Loa (eye worm) hypothetical protein 0.0031 0.011 0.0386
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0024 0.0075
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0042 0.0133
Toxoplasma gondii exonuclease III APE 0.0019 0.0024 0.0075
Echinococcus granulosus dna polymerase kappa 0.0021 0.0042 0.0042
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0087 0.0767
Brugia malayi MAP kinase sur-1 0.0056 0.0284 0.1001
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0316 0.0316
Loa Loa (eye worm) hypothetical protein 0.0179 0.1142 0.4026
Schistosoma mansoni aryl hydrocarbon receptor 0.0053 0.0266 0.0266
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0067 0.0589
Brugia malayi MH2 domain containing protein 0.0017 0.0014 0.0048
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0042 0.0042
Brugia malayi MH2 domain containing protein 0.0251 0.1643 0.5795
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0042 0.0148
Leishmania major hypothetical protein, conserved 0.0028 0.0087 0.0767
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0014 0.0014
Brugia malayi hypoxia-induced factor 1 0.0165 0.1045 0.3686
Chlamydia trachomatis peptide deformylase 0.0467 0.315 0.5
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0053 0.0261 0.2298
Plasmodium vivax peptide deformylase, putative 0.0467 0.315 1
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0087 0.0203
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0027 0.008 0.0179
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.011 0.011
Brugia malayi MH2 domain containing protein 0.0017 0.0014 0.0048
Brugia malayi Latrophilin receptor protein 2 0.0031 0.011 0.0386
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0042 0.0148
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0042 0.0133
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0024 0.0208
Mycobacterium ulcerans 6-phosphofructokinase 0.0053 0.0261 0.0829
Loa Loa (eye worm) hypothetical protein 0.006 0.0316 0.1116
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0284 0.0809
Leishmania major T-complex protein 1, beta subunit, putative 0.0027 0.008 0.07
Brugia malayi Cytochrome P450 family protein 0.0025 0.0067 0.0236
Trypanosoma brucei Polypeptide deformylase 1 0.0178 0.1137 1
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0027 0.008 0.008
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0359 0.0359
Entamoeba histolytica phosphofructokinase, putative 0.0053 0.0261 1
Brugia malayi T-complex protein 1, beta subunit 0.0027 0.008 0.0281
Schistosoma mansoni hypothetical protein 0.0031 0.011 0.011
Echinococcus granulosus single minded 2 0.0039 0.017 0.017
Schistosoma mansoni 6-phosphofructokinase 0.0053 0.0261 0.0261
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0042 0.037
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.0359 0.3153
Loa Loa (eye worm) 6-phosphofructokinase 0.0053 0.0261 0.0922
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0042 0.0042
Echinococcus multilocularis Smad4 0.0017 0.0014 0.0014
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0042 0.037
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0087 0.0767
Plasmodium falciparum peptide deformylase 0.0467 0.315 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0178 0.1137 1
Trichomonas vaginalis phosphofructokinase, putative 0.0053 0.0261 0.0739
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0422 0.2835 1
Schistosoma mansoni hypothetical protein 0.0031 0.011 0.011
Loa Loa (eye worm) phosphofructokinase 0.0053 0.0261 0.0922
Loa Loa (eye worm) hypothetical protein 0.0097 0.0574 0.2024
Echinococcus multilocularis transfer RNA-Lys 0.0039 0.017 0.017
Echinococcus multilocularis dna polymerase eta 0.0021 0.0042 0.0042
Brugia malayi Cytochrome P450 family protein 0.0057 0.0292 0.1028
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0284 0.0809
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0042 0.0042
Leishmania major DNA polymerase eta, putative 0.0021 0.0042 0.037
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0467 0.315 1
Trichomonas vaginalis phosphofructokinase, putative 0.0053 0.0261 0.0739
Schistosoma mansoni single-minded 0.0053 0.0266 0.0266
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0042 0.037
Brugia malayi MH1 domain containing protein 0.0017 0.0014 0.0048
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0027 0.008 0.0174
Mycobacterium ulcerans putative regulatory protein 0.0039 0.017 0.0539
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0042 0.037
Trypanosoma brucei unspecified product 0.0021 0.0042 0.037
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0027 0.008 0.07
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0042 0.037
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0042 0.037
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0042 0.037
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.0316 0.0316
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0056 0.0284 0.2497
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0042 0.037
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0067 0.0589
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0359 0.0359
Brugia malayi 6-phosphofructokinase 0.0053 0.0261 0.0922
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0024 0.0075
Echinococcus granulosus 6 phosphofructokinase 0.0053 0.0261 0.0261
Plasmodium falciparum T-complex protein 1 subunit beta 0.0027 0.008 0.0179
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0042 0.037
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0056 0.0284 0.2497
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0056 0.0284 0.2497
Loa Loa (eye worm) hypothetical protein 0.0028 0.0087 0.0308
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0087 0.0767
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0042 0.0133
Echinococcus multilocularis mitogen activated protein kinase 0.0056 0.0284 0.0284
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0027 0.008 0.008
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0316 0.0316
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0053 0.0261 0.076
Giardia lamblia DINP protein human, muc B family 0.0021 0.0042 0.0707
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0042 0.037
Loa Loa (eye worm) hypoxia-induced factor 1 0.0165 0.1045 0.3686
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0042 0.037
Brugia malayi Pre-SET motif family protein 0.0422 0.2835 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0087 0.0203
Brugia malayi bHLH-PAS transcription factor 0.0039 0.017 0.0599
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0316 0.0316
Schistosoma mansoni smad1 5 8 and 0.0017 0.0014 0.0014
Toxoplasma gondii t-complex protein beta subunit 0.0027 0.008 0.0252
Brugia malayi hypothetical protein 0.0018 0.0019 0.0067
Brugia malayi Pre-SET motif family protein 0.006 0.0316 0.1116
Loa Loa (eye worm) hypothetical protein 0.0021 0.0042 0.0148
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0042 0.0057
Schistosoma mansoni smad1 5 8 and 0.0017 0.0014 0.0014
Leishmania major ATP-dependent phosphofructokinase 0.0053 0.0261 0.2298
Loa Loa (eye worm) transcription factor SMAD2 0.0251 0.1643 0.5795
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0467 0.315 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0024 0.0024
Brugia malayi PAS domain containing protein 0.0053 0.0266 0.0939
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0316 0.1004
Echinococcus granulosus dna polymerase eta 0.0021 0.0042 0.0042
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.0316 0.0316
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0056 0.0284 0.2497
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0042 0.037
Loa Loa (eye worm) Smad1 0.0017 0.0014 0.0048
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.0284 0.0284
Schistosoma mansoni ap endonuclease 0.0019 0.0024 0.0024
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0024 0.0208
Trichomonas vaginalis chaperonin, putative 0.0027 0.008 0.0174
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0014 0.0014
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.0574 0.2024
Brugia malayi 6-phosphofructokinase 0.0053 0.0261 0.0922
Giardia lamblia TCP-1 chaperonin subunit beta 0.0027 0.008 0.2148
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0027 0.008 0.008
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0042 0.037
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0284 0.0809
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.0359 0.1138
Trypanosoma brucei protein kinase, putative 0.0056 0.0284 0.2497
Echinococcus multilocularis 6 phosphofructokinase 0.0053 0.0261 0.0261
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0027 0.008 0.008
Entamoeba histolytica phosphofructokinase, putative 0.0053 0.0261 1
Trypanosoma brucei cytochrome P450, putative 0.0025 0.0067 0.0589

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) = 7.72 % 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) = 12.4 % 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) = 16.11 % 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) = 51 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 97 % 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) = 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) = 27.27 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -3 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 51 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 97 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 100 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.19 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.65282 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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