Detailed information for compound 598815

Basic information

Technical information
  • TDR Targets ID: 598815
  • Name: 8-tert-butyl-1-(3-chlorophenyl)-4-[(2,6-dimet hylphenyl)amino]-1,3-diazaspiro[4.5]dec-3-ene -2-thione
  • MW: 454.07 | Formula: C26H32ClN3S
  • H donors: 1 H acceptors: 0 LogP: 7.53 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)N1C(=S)N/C(=N\c2c(C)cccc2C)/C21CCC(CC2)C(C)(C)C
  • InChi: 1S/C26H32ClN3S/c1-17-8-6-9-18(2)22(17)28-23-26(14-12-19(13-15-26)25(3,4)5)30(24(31)29-23)21-11-7-10-20(27)16-21/h6-11,16,19H,12-15H2,1-5H3,(H,28,29,31)
  • InChiKey: ZLPGFLOCRVONMZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ChemDiv1_019226

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
Schistosoma mansoni hypothetical protein 0.075 0.8339 1
Schistosoma mansoni hypothetical protein 0.0041 0.031 0.031
Leishmania major protein kinase, putative 0.0066 0.059 0.6043
Trypanosoma brucei trypanothione reductase 0.0054 0.0456 0.4528
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0056 0.0043
Loa Loa (eye worm) glutathione reductase 0.0054 0.0456 0.0843
Echinococcus multilocularis geminin 0.075 0.8339 0.833
Loa Loa (eye worm) latrophilin receptor protein 2 0.0139 0.1423 0.2867
Brugia malayi Protein kinase domain containing protein 0.0066 0.059 0.1221
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0056 0.0043
Mycobacterium ulcerans lipase LipD 0.0041 0.031 0.0848
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0056 0.0043
Loa Loa (eye worm) hypothetical protein 0.0041 0.031 0.0538
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0149 0.179
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0056 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.031 0.0538
Mycobacterium tuberculosis Probable oxidoreductase 0.0137 0.1394 0.4854
Leishmania major hypothetical protein, conserved 0.0041 0.031 0.2889
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0066 0.059 0.6043
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0193 0.2034 0.4144
Plasmodium falciparum protein serine/threonine kinase-1 0.0066 0.059 1
Loa Loa (eye worm) hypothetical protein 0.0301 0.3255 0.6698
Mycobacterium ulcerans glutaminase 0.0286 0.3087 1
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.0456 0.0843
Brugia malayi TAR-binding protein 0.0262 0.2812 0.5816
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0149 0.179
Loa Loa (eye worm) beta-lactamase 0.0041 0.031 0.0538
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0056 0.0043
Echinococcus granulosus GPCR family 2 0.0139 0.1423 0.1654
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.031 0.0931
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0056 0.0043
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0056 0.0043
Treponema pallidum NADH oxidase 0.0019 0.0056 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0056 0.0043
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.031 0.0931
Echinococcus multilocularis GPCR, family 2 0.0139 0.1423 0.1378
Plasmodium vivax hypothetical protein, conserved 0.0041 0.031 0.478
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0056 0.0043
Schistosoma mansoni tar DNA-binding protein 0.0262 0.2812 0.333
Schistosoma mansoni tar DNA-binding protein 0.0262 0.2812 0.333
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.031 0.0538
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0193 0.2034 0.2392
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.021 0.019
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0056 0.0043
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0056 0.0004
Schistosoma mansoni glutaminase 0.0286 0.3087 0.3662
Brugia malayi glutathione reductase 0.0054 0.0456 0.0942
Trichomonas vaginalis CMGC family protein kinase 0.0066 0.059 0.1773
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.031 0.0931
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0262 0.2812 0.5771
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.031 0.031
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0137 0.1394 0.4854
Echinococcus granulosus geminin 0.075 0.8339 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0149 0.179
Loa Loa (eye worm) hypothetical protein 0.0065 0.0579 0.1102
Echinococcus granulosus dual specificity protein kinase clk2 0.0066 0.059 0.0649
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0066 0.059 0.6043
Brugia malayi Pre-SET motif family protein 0.0032 0.021 0.0434
Mycobacterium ulcerans hypothetical protein 0.0041 0.031 0.0848
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0056 0.0043
Loa Loa (eye worm) RNA binding protein 0.0262 0.2812 0.5771
Mycobacterium tuberculosis Conserved protein 0.0041 0.031 0.0931
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0056 0.0071
Echinococcus multilocularis dual specificity protein kinase clk2 0.0066 0.059 0.0541
Onchocerca volvulus 0.0041 0.031 0.0393
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0056 0.0071
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0056 0.0043
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0056 0.0043
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0149 0.179
Entamoeba histolytica hypothetical protein 0.0041 0.031 0.2889
Loa Loa (eye worm) hypothetical protein 0.0041 0.031 0.0538
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0137 0.1394 1
Entamoeba histolytica protein kinase, putative 0.0097 0.0943 1
Echinococcus multilocularis tar DNA binding protein 0.0262 0.2812 0.2774
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.031 0.2889
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.021 0.0158
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.0943 0.1075
Leishmania major trypanothione reductase 0.0054 0.0456 0.4528
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.0456 0.0487
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0097 0.0943 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.031 0.0538
Brugia malayi hypothetical protein 0.0027 0.0149 0.0308
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.031 0.2889
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0123 0.1239 0.8566
Schistosoma mansoni hypothetical protein 0.0139 0.1423 0.1654
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0066 0.059 0.6043
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0123 0.1239 0.4291
Plasmodium falciparum thioredoxin reductase 0.0054 0.0456 0.7493
Trichomonas vaginalis set domain proteins, putative 0.0256 0.2745 0.8874
Brugia malayi glutaminase DH11.1 0.0286 0.3087 0.6385
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.021 0.019
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0056 0.0005
Entamoeba histolytica hypothetical protein 0.0097 0.0943 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0056 0.0043
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0056 0.0116
Schistosoma mansoni hypothetical protein 0.0301 0.3255 0.3866
Plasmodium falciparum glutathione reductase 0.0019 0.0056 0.0071
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.0456 0.4528
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.031 0.031
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0056 0.0043
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.044 0.4834 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.031 0.031
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0052 0.0108
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0056 0.0071
Schistosoma mansoni hypothetical protein 0.0139 0.1423 0.1654
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.0456 0.7493
Toxoplasma gondii thioredoxin reductase 0.0054 0.0456 0.7493
Loa Loa (eye worm) glutaminase 0.0286 0.3087 0.6345
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0019 0.0056 0.0013
Schistosoma mansoni hypothetical protein 0.0139 0.1423 0.1654
Loa Loa (eye worm) hypothetical protein 0.0096 0.0932 0.1839
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0019 0.0056 0.0071
Onchocerca volvulus 0.0041 0.031 0.0393
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.031 0.0931
Entamoeba histolytica protein kinase domain containing protein 0.0097 0.0943 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0225 0.2393 0.4894
Brugia malayi hypothetical protein 0.0017 0.0041 0.0084
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0137 0.1394 0.4854
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.021 0.2928
Brugia malayi beta-lactamase family protein 0.0041 0.031 0.064
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0056 0.0043
Plasmodium falciparum thioredoxin reductase 0.0019 0.0056 0.0071
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.021 0.0158
Brugia malayi beta-lactamase family protein 0.0041 0.031 0.064
Schistosoma mansoni tar DNA-binding protein 0.0262 0.2812 0.333
Plasmodium vivax serine/threonine kinase-1, putative 0.0066 0.059 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0056 0.0071
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.031 0.0848
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0019 0.0056 0.0014
Brugia malayi Calcitonin receptor-like protein seb-1 0.044 0.4834 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0056 0.0005
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0066 0.059 0.6043
Brugia malayi beta-lactamase 0.0041 0.031 0.064
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0054 0.0456 0.1459
Entamoeba histolytica hypothetical protein 0.0041 0.031 0.2889
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.0456 0.0405
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0193 0.2034 0.1992
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.059 0.0649
Loa Loa (eye worm) hypothetical protein 0.0041 0.031 0.0538
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0056 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0056 0.0043
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0066 0.059 0.6043
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0019 0.0056 0.0071
Mycobacterium tuberculosis Conserved protein 0.0041 0.031 0.0931
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0193 0.2034 0.2392
Brugia malayi Thioredoxin reductase 0.0054 0.0456 0.0942
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0193 0.2034 0.1992
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.021 0.019
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0139 0.1423 0.1378
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.031 0.031
Brugia malayi Protein kinase domain containing protein 0.0097 0.0943 0.195
Trichomonas vaginalis esterase, putative 0.0041 0.031 0.0848
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0097 0.0943 0.1862
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.031 0.031
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0019 0.0056 0.0013
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0262 0.2816 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0066 0.059 0.6043
Brugia malayi Pre-SET motif family protein 0.0225 0.2393 0.495
Mycobacterium tuberculosis Conserved protein 0.0041 0.031 0.0931
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.031 0.0259
Plasmodium vivax glutathione reductase, putative 0.0054 0.0456 0.7493
Trichomonas vaginalis glutaminase, putative 0.0286 0.3087 1
Leishmania major hypothetical protein, conserved 0.0027 0.0149 0.1081
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0056 0.5
Schistosoma mansoni hypothetical protein 0.0139 0.1423 0.1654
Loa Loa (eye worm) hypothetical protein 0.044 0.4834 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0193 0.2034 0.2392
Giardia lamblia Kinase, CMGC CLK 0.0066 0.059 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.031 0.0848
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.031 0.0931
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0056 0.0043
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.031 0.0848
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0097 0.0943 1
Echinococcus granulosus tar DNA binding protein 0.0262 0.2812 0.333
Schistosoma mansoni tar DNA-binding protein 0.0262 0.2812 0.333
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0123 0.1239 0.4291
Echinococcus granulosus hypothetical protein 0.0065 0.0579 0.0636
Schistosoma mansoni tar DNA-binding protein 0.0262 0.2812 0.333
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.031 0.0931
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0149 0.1081
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.031 0.064
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0019 0.0056 0.0013
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0197 0.0174
Loa Loa (eye worm) hypothetical protein 0.0032 0.021 0.033
Loa Loa (eye worm) pigment dispersing factor receptor c 0.044 0.4834 1
Entamoeba histolytica protein kinase, putative 0.0097 0.0943 1
Echinococcus multilocularis dual specificity 0.0097 0.0943 0.0895
Brugia malayi hypothetical protein 0.0041 0.031 0.064
Schistosoma mansoni hypothetical protein 0.075 0.8339 1
Brugia malayi RNA binding protein 0.0262 0.2812 0.5816
Loa Loa (eye worm) hypothetical protein 0.0041 0.031 0.0538
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0097 0.0943 1
Onchocerca volvulus 0.0256 0.2745 1
Entamoeba histolytica hypothetical protein 0.0041 0.031 0.2889
Echinococcus granulosus dual specificity 0.0097 0.0943 0.1075
Plasmodium vivax SET domain protein, putative 0.0032 0.021 0.2928
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0193 0.2034 0.2392
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0056 0.0013
Brugia malayi Latrophilin receptor protein 2 0.0139 0.1423 0.2944
Mycobacterium tuberculosis Probable reductase 0.0123 0.1239 0.4291
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.031 0.0848
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0193 0.2034 0.2392
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.031 0.0848
Brugia malayi latrophilin 2 splice variant baaae 0.0301 0.3255 0.6734
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0149 0.1081
Entamoeba histolytica hypothetical protein 0.0041 0.031 0.2889
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0066 0.059 0.1125
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.031 0.0931
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0139 0.1423 0.1378
Loa Loa (eye worm) hypothetical protein 0.0027 0.0149 0.0201
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.031 0.2889
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0123 0.1239 0.4291
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0139 0.1423 0.1654
Onchocerca volvulus 0.0041 0.031 0.0393
Brugia malayi RNA recognition motif domain containing protein 0.0262 0.2812 0.5816
Echinococcus multilocularis 0.0065 0.0579 0.053
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0097 0.0943 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0123 0.1239 0.4291
Toxoplasma gondii ABC1 family protein 0.0041 0.031 0.478
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.059 0.0649
Mycobacterium ulcerans beta-lactamase 0.0041 0.031 0.0848
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0056 0.0071
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0193 0.2034 0.4208
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0139 0.1423 0.2944
Loa Loa (eye worm) hypothetical protein 0.0096 0.0932 0.1839
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.031 0.0259
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0123 0.1239 0.4291
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.021 0.019
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0139 0.1423 0.1654
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0066 0.059 1
Loa Loa (eye worm) TAR-binding protein 0.0262 0.2812 0.5771
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.021 0.019
Leishmania major protein kinase, putative 0.0066 0.059 0.6043
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.031 0.0848
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0056 0.0013
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0149 0.1081
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.031 0.0848
Plasmodium falciparum glutathione reductase 0.0054 0.0456 0.7493
Loa Loa (eye worm) hypothetical protein 0.0139 0.1423 0.2867
Loa Loa (eye worm) glutaminase 2 0.0286 0.3087 0.6345

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -2.68 % 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) = -1.2 % 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) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 0.24 % 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) = 4 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 53 % 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) = 87 % 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) = 0.72 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -14 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 4 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 53 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 87 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.12 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.7601 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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