Detailed information for compound 602223

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 604.645 | Formula: C31H27F3N6O2S
  • H donors: 2 H acceptors: 5 LogP: 3.93 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.N#Cc1ccc(nc1)N1CCN(CC1)Cc1cccc(c1)c1ccc(s1)c1nc2c([nH]1)c(C)ccc2
  • InChi: 1S/C29H26N6S.C2HF3O2/c1-20-4-2-7-24-28(20)33-29(32-24)26-10-9-25(36-26)23-6-3-5-21(16-23)19-34-12-14-35(15-13-34)27-11-8-22(17-30)18-31-27;3-2(4,5)1(6)7/h2-11,16,18H,12-15,19H2,1H3,(H,32,33);(H,6,7)
  • InChiKey: UTNRGSCVBVZVEB-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
Onchocerca volvulus 0.004 0.0151 0.0373
Brugia malayi hypothetical protein 0.0065 0.0403 0.0766
Echinococcus multilocularis Polycystic kidney disease protein 0.0065 0.0403 0.0403
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0145 0.0145
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0087 0.0621 0.0912
Onchocerca volvulus Alhambra homolog 0.0145 0.1204 0.4279
Brugia malayi PHD-finger family protein 0.0126 0.1022 0.2112
Mycobacterium tuberculosis Conserved protein 0.004 0.0151 0.0233
Schistosoma mansoni lamin 0.003 0.005 0.0074
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0156 0.0156
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0259 0.0381
Entamoeba histolytica hypothetical protein 0.0039 0.0145 0.1485
Brugia malayi jmjC domain containing protein 0.0473 0.4514 0.9704
Loa Loa (eye worm) jmjC domain-containing protein 0.0047 0.0219 0.0379
Schistosoma mansoni tar DNA-binding protein 0.0257 0.2337 0.3436
Loa Loa (eye worm) hypothetical protein 0.0065 0.0403 0.0777
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0259 0.0381
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0047 0.0225 0.1139
Echinococcus granulosus microtubule associated protein 2 0.0701 0.6801 0.6801
Loa Loa (eye worm) hypothetical protein 0.0181 0.1568 0.3308
Schistosoma mansoni intermediate filament proteins 0.003 0.005 0.0074
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0047 0.0225 0.0331
Brugia malayi Doublecortin family protein 0.0065 0.0403 0.0766
Loa Loa (eye worm) hypothetical protein 0.0359 0.3361 0.7201
Loa Loa (eye worm) MH2 domain-containing protein 0.0487 0.465 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0303 0.2798 0.2798
Echinococcus multilocularis jumonji domain containing 1A 0.0047 0.0219 0.0219
Echinococcus multilocularis lysine specific demethylase 5A 0.0175 0.151 0.151
Echinococcus granulosus RUN 0.0065 0.0403 0.0403
Loa Loa (eye worm) hypothetical protein 0.0143 0.1187 0.248
Echinococcus multilocularis lamin dm0 0.003 0.005 0.005
Schistosoma mansoni hypothetical protein 0.0066 0.0415 0.061
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0308 0.4824
Echinococcus multilocularis neuropeptide s receptor 0.1019 1 1
Brugia malayi beta-NAC-like protein 0.0038 0.0134 0.0182
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0308 0.4824
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0091 0.0087
Schistosoma mansoni jumonji/arid domain-containing protein 0.0185 0.1608 0.2364
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0308 0.1884
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0259 0.0259
Schistosoma mansoni aryl hydrocarbon receptor 0.0054 0.0292 0.0429
Loa Loa (eye worm) hypothetical protein 0.003 0.005 0.0012
Brugia malayi bHLH-PAS transcription factor 0.004 0.0151 0.0219
Brugia malayi PHD-finger family protein 0.0057 0.0323 0.0593
Brugia malayi PAS domain containing protein 0.0054 0.0292 0.0525
Loa Loa (eye worm) PHD-finger family protein 0.0145 0.1204 0.2518
Echinococcus multilocularis jumonji domain containing protein 0.0201 0.1774 0.1774
Plasmodium vivax hypothetical protein, conserved 0.0145 0.1204 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0151 0.0219
Echinococcus multilocularis GPCR, family 2 0.0066 0.0415 0.0415
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0151 0.1193
Trypanosoma brucei ISWI complex protein 0.0078 0.0531 1
Schistosoma mansoni hypothetical protein 0.0066 0.0415 0.061
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0303 0.2798 0.2798
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0156 0.0166
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.0113 0.0062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0209 0.0232
Loa Loa (eye worm) bromodomain containing protein 0.009 0.0652 0.1318
Schistosoma mansoni jumonji domain containing protein 0.0047 0.0219 0.0322
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0066 0.0415 0.0415
Loa Loa (eye worm) jmjC domain-containing protein 0.0298 0.2753 0.5882
Loa Loa (eye worm) hypothetical protein 0.0258 0.2348 0.5002
Brugia malayi hypothetical protein 0.0036 0.011 0.013
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0156 0.1303
Schistosoma mansoni transcription factor btf3 0.0038 0.0134 0.0197
Echinococcus granulosus peregrin 0.0157 0.1325 0.1325
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0066 0.0415 0.0415
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0182 0.1585 0.1585
Brugia malayi Smad1 0.0033 0.0084 0.0073
Loa Loa (eye worm) hypothetical protein 0.0195 0.1709 0.3614
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0084 0.0085
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0151 0.016
Mycobacterium leprae Probable lipase LipE 0.004 0.0151 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0087 0.0621 0.0621
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.0156 0.2889
Leishmania major hypothetical protein, conserved 0.0055 0.0308 0.4824
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0087 0.0621 0.0621
Brugia malayi hypothetical protein 0.0055 0.0308 0.0559
Echinococcus multilocularis survival motor neuron protein 1 0.0258 0.2348 0.2348
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0151 0.0233
Schistosoma mansoni protein phosphatase 2C 0.0047 0.0219 0.0322
Loa Loa (eye worm) beta-lactamase 0.004 0.0151 0.0231
Loa Loa (eye worm) inositol-1 0.004 0.0156 0.0241
Echinococcus granulosus arachidonate 5 lipoxygenase 0.032 0.2966 0.2966
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0259 0.0259
Brugia malayi MH2 domain containing protein 0.0033 0.0084 0.0073
Schistosoma mansoni single-minded 0.0054 0.0292 0.0429
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0084 0.0085
Echinococcus granulosus intermediate filament protein 0.003 0.005 0.005
Echinococcus multilocularis neuropeptide receptor A26 0.1019 1 1
Echinococcus multilocularis phd:f box containing protein 0.0047 0.0219 0.0219
Schistosoma mansoni methyl-cpg binding protein mbd 0.0087 0.0621 0.0912
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0151 0.0233
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0046 0.0209 1
Trypanosoma cruzi transcription factor btf3, putative 0.0038 0.0134 0.0801
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0046 0.0209 0.0209
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0145 0.0213
Schistosoma mansoni hypothetical protein 0.0373 0.3499 0.5146
Brugia malayi Inositol-1 0.004 0.0156 0.0229
Brugia malayi Latrophilin receptor protein 2 0.0066 0.0415 0.0793
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0259 0.0259
Plasmodium vivax hypothetical protein, conserved 0.004 0.0151 0.0466
Schistosoma mansoni cellular tumor antigen P53 0.0099 0.0751 0.1104
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0046 0.0209 0.2539
Leishmania major hypothetical protein, conserved 0.004 0.0151 0.1193
Echinococcus multilocularis lipoxygenase domain containing protein 0.0065 0.0403 0.0403
Brugia malayi jmjC domain containing protein 0.0047 0.0219 0.0368
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0046 0.0209 0.0345
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0036 0.0115 0.0371
Brugia malayi beta-lactamase 0.004 0.0151 0.0219
Schistosoma mansoni hypothetical protein 0.0066 0.0415 0.061
Brugia malayi hypothetical protein 0.0298 0.2747 0.5864
Echinococcus granulosus zinc finger protein 0.0099 0.0749 0.0749
Trypanosoma cruzi ISWI complex protein 0.0078 0.0531 1
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0047 0.0225 0.2915
Schistosoma mansoni hypothetical protein 0.0373 0.3499 0.5146
Schistosoma mansoni inositol monophosphatase 0.004 0.0156 0.0229
Echinococcus granulosus lamin 0.003 0.005 0.005
Schistosoma mansoni phd/f-box containing protein 0.0047 0.0219 0.0322
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0056 0.0317 0.0317
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0058 0.0045
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0151 0.1193
Echinococcus multilocularis PHD finger protein rhinoceros 0.0145 0.1204 0.1204
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0084 0.0084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0209 0.0232
Plasmodium falciparum LCCL domain-containing protein 0.0065 0.0403 0.2745
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0084 0.0084
Loa Loa (eye worm) latrophilin receptor protein 2 0.0066 0.0415 0.0804
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0473 0.4514 0.4514
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0114 0.0901 0.0901
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.028 0.0499
Echinococcus multilocularis JmjC domain containing protein 4 0.0047 0.0219 0.0219
Echinococcus granulosus transcription factor btf3 0.0038 0.0134 0.0134
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0151 0.0233
Loa Loa (eye worm) hypothetical protein 0.0057 0.0323 0.0604
Onchocerca volvulus 0.0065 0.0403 0.1307
Schistosoma mansoni tar DNA-binding protein 0.0257 0.2337 0.3436
Loa Loa (eye worm) hypothetical protein 0.0216 0.1927 0.4088
Brugia malayi beta-lactamase family protein 0.004 0.0151 0.0219
Echinococcus multilocularis Smad4 0.0033 0.0084 0.0084
Schistosoma mansoni microtubule-associated protein tau 0.0701 0.6801 1
Echinococcus multilocularis geminin 0.0373 0.3499 0.3499
Leishmania major hypothetical protein, conserved 0.0047 0.0219 0.2778
Brugia malayi MH1 domain containing protein 0.0033 0.0084 0.0073
Loa Loa (eye worm) hypothetical protein 0.0207 0.183 0.3877
Echinococcus multilocularis tumor protein p63 0.0679 0.6587 0.6587
Brugia malayi hypothetical protein 0.0181 0.1568 0.33
Schistosoma mansoni survival motor neuron protein 0.0053 0.028 0.0411
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0046 0.0209 0.2539
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0134 0.0139
Loa Loa (eye worm) hypothetical protein 0.0145 0.1204 0.2518
Echinococcus granulosus lipoxygenase domain containing protein 0.0065 0.0403 0.0403
Echinococcus multilocularis lamin 0.003 0.005 0.005
Toxoplasma gondii isocitrate dehydrogenase 0.0035 0.0099 0.0073
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0047 0.0219 0.2778
Loa Loa (eye worm) TAR-binding protein 0.0257 0.2337 0.4978
Echinococcus granulosus JmjC domain containing protein 4 0.0047 0.0219 0.0219
Loa Loa (eye worm) hypothetical protein 0.0087 0.0621 0.125
Echinococcus multilocularis tar DNA binding protein 0.0257 0.2337 0.2337
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0036 0.0115 0.0371
Loa Loa (eye worm) hypothetical protein 0.004 0.0151 0.0231
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0056 0.0317 0.0317
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0116
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0035 0.0099 0.0146
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0156 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.032 0.2966 0.2966
Onchocerca volvulus 0.004 0.0151 0.0373
Onchocerca volvulus 0.0298 0.2747 1
Brugia malayi MH2 domain containing protein 0.0033 0.0084 0.0073
Schistosoma mansoni zinc finger protein 0.0078 0.0531 0.0781
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0091 0.0087
Echinococcus multilocularis transcription factor btf3 0.0038 0.0134 0.0134
Schistosoma mansoni tar DNA-binding protein 0.0257 0.2337 0.3436
Brugia malayi hypothetical protein 0.0039 0.0145 0.0206
Echinococcus granulosus lamin dm0 0.003 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.004 0.0151 0.0231
Schistosoma mansoni smad1 5 8 and 0.0033 0.0084 0.0123
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0151 0.0151
Giardia lamblia PHD finger protein 15 0.0145 0.1204 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0046 0.0209 0.2539
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0885 0.866 0.866
Brugia malayi jmjC domain containing protein 0.0047 0.0219 0.0368
Schistosoma mansoni hypothetical protein 0.0145 0.1204 0.1771
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.0156 0.0578
Brugia malayi Bromodomain containing protein 0.0194 0.1705 0.3599
Echinococcus granulosus Smad4 0.0033 0.0084 0.0084
Loa Loa (eye worm) RNA binding protein 0.0257 0.2337 0.4978
Onchocerca volvulus 0.004 0.0151 0.0373
Brugia malayi latrophilin 2 splice variant baaae 0.0143 0.1187 0.2471
Toxoplasma gondii PHD-finger domain-containing protein 0.0145 0.1204 1
Schistosoma mansoni hypothetical protein 0.0105 0.0803 0.1181
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0134 0.0139
Schistosoma mansoni rab6-interacting 0.0065 0.0403 0.0592
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0151 0.0233
Echinococcus granulosus phd:f box containing protein 0.0047 0.0219 0.0219
Schistosoma mansoni Smad4 0.0033 0.0084 0.0123
Schistosoma mansoni hypothetical protein 0.0065 0.0403 0.0592
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0046 0.0209 0.2539
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0257 0.2337 0.4978
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0047 0.0219 0.0322
Echinococcus granulosus survival motor neuron protein 1 0.0258 0.2348 0.2348
Schistosoma mansoni hypothetical protein 0.0143 0.1187 0.1745
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0156 0.0166
Mycobacterium leprae conserved hypothetical protein 0.004 0.0151 1
Brugia malayi F/Y-rich N-terminus family protein 0.0057 0.0323 0.0593
Echinococcus multilocularis transfer RNA-Lys 0.004 0.0151 0.0151
Loa Loa (eye worm) Smad1 0.0033 0.0084 0.0085
Loa Loa (eye worm) hypothetical protein 0.0055 0.0308 0.0571
Echinococcus granulosus jumonji domain containing protein 0.0201 0.1774 0.1774
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0145 0.0145
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0308 0.1884
Brugia malayi hypoxia-induced factor 1 0.0167 0.1427 0.2994
Echinococcus granulosus smad 0.0033 0.0084 0.0084
Schistosoma mansoni rab6-interacting 0.0065 0.0403 0.0592
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0259 0.0466
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0259 0.0381
Toxoplasma gondii isocitrate dehydrogenase 0.0035 0.0099 0.0073
Loa Loa (eye worm) hypothetical protein 0.0298 0.2747 0.5869
Loa Loa (eye worm) hypothetical protein 0.004 0.0151 0.0231
Trypanosoma cruzi target of rapamycin kinase 3 0.0036 0.0115 0.0371
Loa Loa (eye worm) hypothetical protein 0.004 0.0151 0.0231
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0151 0.0233
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0308 0.1943
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0156 0.0166
Brugia malayi hypothetical protein 0.0065 0.0403 0.0766
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0116
Loa Loa (eye worm) hypothetical protein 0.0248 0.2244 0.4775
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0047 0.0225 0.2915
Schistosoma mansoni lamin 0.003 0.005 0.0074
Brugia malayi Isocitrate dehydrogenase 0.0035 0.0099 0.0107
Loa Loa (eye worm) hypothetical protein 0.004 0.0151 0.0231
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0145 0.1204 0.1771
Schistosoma mansoni lipoxygenase 0.032 0.2966 0.4361
Loa Loa (eye worm) hypothetical protein 0.0047 0.0219 0.0379
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0035 0.0099 0.0099
Loa Loa (eye worm) ICD-1 protein 0.0038 0.0134 0.0194
Schistosoma mansoni zinc finger protein 0.0099 0.0749 0.1102
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0046 0.0209 0.2539
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0209 0.1852 0.3924
Echinococcus multilocularis zinc finger protein 0.0099 0.0749 0.0749
Echinococcus granulosus lysine specific demethylase 5A 0.0185 0.1608 0.1608
Echinococcus granulosus single minded 2 0.004 0.0151 0.0151
Loa Loa (eye worm) phosphatidylinositol 3 0.0046 0.0209 0.0357
Plasmodium vivax multidomain scavenger receptor, putative 0.0065 0.0403 0.2745
Brugia malayi TAR-binding protein 0.0257 0.2337 0.4972
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.005 0.0012
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0308 0.1884
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0156 0.1303
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0473 0.4514 0.4514
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0156 0.1303
Toxoplasma gondii ABC1 family protein 0.004 0.0151 0.0535
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0209 0.1852 0.3917
Onchocerca volvulus 0.0065 0.0403 0.1307
Schistosoma mansoni hypothetical protein 0.0066 0.0415 0.061
Loa Loa (eye worm) jmjC domain-containing protein 0.0047 0.0219 0.0379
Echinococcus granulosus lysine specific demethylase 6a 0.0047 0.0219 0.0219
Echinococcus multilocularis lipoxygenase domain containing protein 0.0065 0.0403 0.0403
Loa Loa (eye worm) transcription factor SMAD2 0.0487 0.465 1
Brugia malayi RNA binding protein 0.0257 0.2337 0.4972
Trichomonas vaginalis conserved hypothetical protein 0.0829 0.8095 1
Schistosoma mansoni jumonji domain containing protein 0.0376 0.3535 0.5197
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0047 0.0219 0.2778
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0084 0.0084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0116
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0151 0.016
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0046 0.0209 1
Schistosoma mansoni smad1 5 8 and 0.0033 0.0084 0.0123
Loa Loa (eye worm) hypothetical protein 0.0066 0.0415 0.0804
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0066 0.0415 0.0793
Schistosoma mansoni lipoxygenase 0.0203 0.1791 0.2633
Brugia malayi jmjC domain containing protein 0.0047 0.0219 0.0368
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0084 0.0123
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0046 0.0209 0.0307
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0035 0.0099 0.0099
Entamoeba histolytica hypothetical protein 0.0039 0.0145 0.1485
Schistosoma mansoni polycystin 1-related 0.0065 0.0403 0.0592
Echinococcus granulosus methyl CpG binding domain protein 2 0.0087 0.0621 0.0621
Echinococcus multilocularis lysine specific demethylase 6a 0.0047 0.0219 0.0219
Brugia malayi isocitrate dehydrogenase 0.0035 0.0099 0.0107
Leishmania major basic transcription factor 3a, putative 0.0038 0.0134 0.0801
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0151 0.016
Toxoplasma gondii PHD-finger domain-containing protein 0.0145 0.1204 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0151 0.0231
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0182 0.1585 0.1585
Plasmodium vivax basic transcription factor 3b, putative 0.0038 0.0134 0.0313
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0151 0.0151
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0046 0.0209 0.0209
Echinococcus granulosus fetal alzheimer antigen falz 0.0114 0.0901 0.0901
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0151 0.0222
Leishmania major hypothetical protein, conserved 0.0078 0.0531 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0258 0.2347 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0035 0.0099 0.0099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0116
Schistosoma mansoni phosphatidylserine receptor 0.0047 0.0219 0.0322
Schistosoma mansoni methyl-cpg binding protein mbd 0.0087 0.0621 0.0912
Toxoplasma gondii PHD-finger domain-containing protein 0.0047 0.0225 0.1203
Schistosoma mansoni tar DNA-binding protein 0.0257 0.2337 0.3436
Echinococcus multilocularis smad 0.0033 0.0084 0.0084
Echinococcus granulosus histone lysine methyltransferase setb 0.0087 0.0621 0.0621
Toxoplasma gondii NAC domain-containing protein 0.0038 0.0134 0.0383
Entamoeba histolytica hypothetical protein 0.0039 0.0145 0.1485
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0151 0.0233
Schistosoma mansoni hypothetical protein 0.0053 0.028 0.0411
Brugia malayi hypothetical protein 0.0258 0.2348 0.4996
Loa Loa (eye worm) doublecortin family protein 0.0065 0.0403 0.0777
Entamoeba histolytica hypothetical protein 0.0039 0.0145 0.1485
Plasmodium vivax hypothetical protein, conserved 0.0047 0.0225 0.1139
Brugia malayi Bromodomain containing protein 0.0381 0.3579 0.7673
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0091 0.0087
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0209 0.0232
Echinococcus multilocularis peregrin 0.0157 0.1325 0.1325
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0099 0.0099
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0151 0.016
Loa Loa (eye worm) jmjC domain-containing protein 0.0047 0.0219 0.0379
Echinococcus multilocularis RUN 0.0065 0.0403 0.0403
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0259 0.0259
Loa Loa (eye worm) jmjC domain-containing protein 0.0185 0.1608 0.3395
Schistosoma mansoni smad1 5 8 and 0.0033 0.0084 0.0123
Echinococcus granulosus tar DNA binding protein 0.0257 0.2337 0.2337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0024 0.0003
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0047 0.0225 0.1203
Echinococcus granulosus neuropeptide receptor A26 0.1019 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0209 0.1852 0.3924
Echinococcus granulosus jumonji domain containing 1A 0.0047 0.0219 0.0219
Brugia malayi PHD-finger family protein 0.0145 0.1204 0.2509
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0091 0.0087
Echinococcus multilocularis musashi 0.003 0.005 0.005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0091 0.0087
Trypanosoma cruzi transcription factor btf3, putative 0.0038 0.0134 0.0801
Schistosoma mansoni jumonji/arid domain-containing protein 0.0185 0.1608 0.2364
Brugia malayi follicle stimulating hormone receptor 0.0258 0.2347 0.4994
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0151 0.016
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0151 0.0222
Loa Loa (eye worm) hypothetical protein 0.0099 0.0751 0.1533
Trypanosoma cruzi ISWI complex protein 0.0078 0.0531 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.0156 1
Echinococcus granulosus geminin 0.0373 0.3499 0.3499
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0066 0.0415 0.0415
Loa Loa (eye worm) hypothetical protein 0.0047 0.0219 0.0379
Brugia malayi MH2 domain containing protein 0.0487 0.465 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0048 0.0033
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0047 0.0219 0.115
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0134 0.0139
Mycobacterium tuberculosis Conserved protein 0.004 0.0151 0.0233
Schistosoma mansoni loxhd1 0.0065 0.0403 0.0592
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0156 0.0156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0024 0.0003
Trichomonas vaginalis esterase, putative 0.004 0.0151 0.016
Brugia malayi jmjC domain containing protein 0.0047 0.0219 0.0368
Schistosoma mansoni smad 0.0033 0.0084 0.0123
Plasmodium falciparum basic transcription factor 3b, putative 0.0038 0.0134 0.0313
Schistosoma mansoni bromodomain containing protein 0.0321 0.2981 0.4383
Loa Loa (eye worm) intermediate filament protein 0.003 0.005 0.0012
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0047 0.0219 0.115
Loa Loa (eye worm) isocitrate dehydrogenase 0.0035 0.0099 0.0119
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0151 0.0231
Schistosoma mansoni inositol monophosphatase 0.004 0.0156 0.0229
Onchocerca volvulus 0.0053 0.028 0.0851
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0259 0.0455
Mycobacterium tuberculosis Conserved protein 0.004 0.0151 0.0233
Loa Loa (eye worm) hypothetical protein 0.0065 0.0403 0.0777
Trypanosoma brucei transcription factor BTF3, putative 0.0038 0.0134 0.0801
Echinococcus granulosus Polycystic kidney disease protein 0.0065 0.0403 0.0403
Echinococcus granulosus lipoxygenase domain containing protein 0.0065 0.0403 0.0403
Echinococcus multilocularis microtubule associated protein 2 0.0701 0.6801 0.6801
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0116
Plasmodium falciparum phd finger protein, putative 0.0145 0.1204 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0142 0.0149
Plasmodium falciparum JmjC domain-containing protein, putative 0.0047 0.0219 0.1085
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0151 0.1193
Onchocerca volvulus 0.004 0.0151 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0024 0.0003
Schistosoma mansoni tar DNA-binding protein 0.0257 0.2337 0.3436
Echinococcus granulosus tumor protein p63 0.0679 0.6587 0.6587
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0091 0.0087
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0091 0.0087
Brugia malayi RNA recognition motif domain containing protein 0.0257 0.2337 0.4972
Brugia malayi jmjC domain containing protein 0.0185 0.1608 0.3387
Schistosoma mansoni hypothetical protein 0.0047 0.0225 0.0331
Loa Loa (eye worm) hypoxia-induced factor 1 0.0167 0.1427 0.3002
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0114 0.0901 0.1325
Brugia malayi MH1 domain containing protein 0.0033 0.0084 0.0073
Plasmodium vivax JmjC domain containing protein 0.0047 0.0219 0.1085
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0046 0.0209 0.2539
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0308 0.4824
Brugia malayi Calcitonin receptor-like protein seb-1 0.0209 0.1852 0.3917
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0255 0.2312 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0151 0.0233
Brugia malayi Bromodomain containing protein 0.0157 0.1325 0.2772
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0066 0.0415 0.0415
Brugia malayi beta-lactamase family protein 0.004 0.0151 0.0219
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0087 0.0621 0.0912
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0099 0.0099
Echinococcus granulosus PHD finger protein rhinoceros 0.0145 0.1204 0.1204
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0156 0.1303
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0084 0.0084
Onchocerca volvulus 0.0099 0.0751 0.2597
Brugia malayi AF-10 protein 0.0047 0.0225 0.038
Schistosoma mansoni hypothetical protein 0.0078 0.0531 0.0781
Loa Loa (eye worm) PHD-finger family protein 0.0105 0.0803 0.1647
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0047 0.0219 0.2778
Schistosoma mansoni hypothetical protein 0.0039 0.0145 0.0213
Echinococcus granulosus GPCR family 2 0.0066 0.0415 0.0415

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -1.69 % 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) = 0.91 % 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) = 1.21 % 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) = 2 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 8 % 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) = 37 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 85 % 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) = 6.86 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 2 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 8 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 37 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 85 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 5.85 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 1.41549 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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