Detailed information for compound 595832

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 483.58 | Formula: C29H30FN5O
  • H donors: 2 H acceptors: 2 LogP: 4.5 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)N1CCC(CC1)NCc1cccc(c1)n1cccn1)NCc1ccccc1F
  • InChi: 1S/C29H30FN5O/c30-28-8-2-1-6-24(28)21-32-29(36)23-9-11-26(12-10-23)34-17-13-25(14-18-34)31-20-22-5-3-7-27(19-22)35-16-4-15-33-35/h1-12,15-16,19,25,31H,13-14,17-18,20-21H2,(H,32,36)
  • InChiKey: CSTJYLSXUKZCDD-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
Brugia malayi beta-lactamase family protein 0.0035 0.0269 0.09
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0036 0.0311
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.117 0.4383
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0036 0.5
Mycobacterium ulcerans beta-lactamase 0.0035 0.0269 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0269 0.622
Schistosoma mansoni hypothetical protein 0.0032 0.023 0.0516
Schistosoma mansoni DNA polymerase eta 0.0019 0.0073 0.0133
Onchocerca volvulus 0.0244 0.287 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0073 0.1262
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0419 0.0669
Brugia malayi Latrophilin receptor protein 2 0.0032 0.023 0.077
Loa Loa (eye worm) hypothetical protein 0.0154 0.1748 0.5773
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0073 0.0066
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0045 0.0065
Echinococcus granulosus GPCR family 2 0.0032 0.023 0.034
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0036 0.5
Schistosoma mansoni tar DNA-binding protein 0.0254 0.2993 0.7235
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0073 0.0038
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0269 0.0824
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0754
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0229 0.1867
Brugia malayi TAR-binding protein 0.0254 0.2993 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0036 0.0311
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0073 0.1262
Entamoeba histolytica hypothetical protein 0.0036 0.0281 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0073 0.0245
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0047 0.0012
Echinococcus multilocularis dna polymerase eta 0.0019 0.0073 0.0038
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0281 0.0429
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0269 0.0754
Loa Loa (eye worm) hypothetical protein 0.0048 0.0428 0.1293
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0419 0.1262
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0073 0.1262
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0269 0.0824
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0047 0.0605
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0073 0.0133
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0047 0.0012
Loa Loa (eye worm) glutathione reductase 0.0047 0.0419 0.1261
Loa Loa (eye worm) beta-lactamase 0.0035 0.0269 0.0754
Trichomonas vaginalis set domain proteins, putative 0.0244 0.287 1
Echinococcus multilocularis neuropeptide receptor A26 0.0476 0.5762 0.5747
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0104 0.1131 0.1912
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0269 0.0903
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0045 0.001
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0073 0.0245
Brugia malayi PHD-finger family protein 0.0025 0.0143 0.0479
Mycobacterium tuberculosis Probable reductase 0.0107 0.117 0.4383
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0419 0.0385
Echinococcus multilocularis neuropeptide s receptor 0.0476 0.5762 0.5747
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0229 0.1867
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0105 0.1146 0.1114
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0036 0.0311
Echinococcus multilocularis GPCR, family 2 0.0032 0.023 0.0195
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.109 0.3641
Giardia lamblia DINP protein human, muc B family 0.0019 0.0073 0.1947
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0036 0.0042
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0114 0.0232
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.0336 0.0525
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0269 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0036 0.0311
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.0336 0.098
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0269 0.622
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0754
Mycobacterium tuberculosis Conserved protein 0.0035 0.0269 0.0903
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0073 0.0133
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0312 0.0278
Brugia malayi hypothetical protein 0.0036 0.0281 0.094
Toxoplasma gondii melibiase subfamily protein 0.0105 0.1146 1
Plasmodium falciparum thioredoxin reductase 0.0047 0.0419 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0073 0.0145
Schistosoma mansoni zinc finger protein 0.002 0.0077 0.0142
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0104 0.1131 0.1099
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0229 0.0337
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.009 0.0145
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0215 0.018
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.1146 0.2742
Echinococcus multilocularis peregrin 0.0034 0.0258 0.0224
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.1319 0.496
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0073 0.0133
Brugia malayi PHD-finger family protein 0.0032 0.0229 0.0765
Echinococcus multilocularis zinc finger protein 0.002 0.0077 0.0041
Onchocerca volvulus 0.005 0.0451 0.0888
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0073 0.0133
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0036 0.0311
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.117 0.4383
Loa Loa (eye worm) hypothetical protein 0.0043 0.0365 0.1077
Echinococcus granulosus muscleblind protein 0.0154 0.1748 0.299
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0269 0.0903
Mycobacterium ulcerans hypothetical protein 0.0035 0.0269 1
Echinococcus granulosus neuropeptide s receptor 0.0476 0.5762 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0073 0.1262
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0114 0.0136
Onchocerca volvulus 0.0035 0.0269 0.0204
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0045 0.0065
Brugia malayi Pre-SET motif family protein 0.0031 0.0215 0.0719
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.1319 0.496
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0269 0.0903
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0254 0.2993 1
Onchocerca volvulus Alhambra homolog 0.0032 0.0229 0.0051
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.2865 0.2839
Loa Loa (eye worm) hypothetical protein 0.0101 0.109 0.3539
Loa Loa (eye worm) hypothetical protein 0.0071 0.0715 0.2266
Schistosoma mansoni survival motor neuron protein 0.005 0.0451 0.1052
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0428 0.0996
Schistosoma mansoni hypothetical protein 0.0036 0.0281 0.064
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.0428 0.0996
Onchocerca volvulus 0.0035 0.0269 0.0204
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0073 0.1262
Schistosoma mansoni hypothetical protein 0.0032 0.023 0.0516
Echinococcus multilocularis muscleblind protein 1 0.0154 0.1748 0.1718
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0269 0.0824
Loa Loa (eye worm) hypothetical protein 0.0032 0.0229 0.0616
Loa Loa (eye worm) TAR-binding protein 0.0254 0.2993 1
Echinococcus granulosus neuropeptide receptor A26 0.0476 0.5762 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0269 0.6099
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0105 0.1146 0.1114
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0269 0.0408
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0036 0.0119
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0419 0.0974
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.117 0.4383
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0073 0.1262
Toxoplasma gondii ABC1 family protein 0.0035 0.0269 0.2226
Brugia malayi beta-lactamase 0.0035 0.0269 0.09
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.1146 0.2742
Echinococcus multilocularis muscleblind protein 0.0154 0.1748 0.1718
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0269 0.061
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0114 0.0078
Loa Loa (eye worm) hypothetical protein 0.0041 0.0341 0.0996
Entamoeba histolytica hypothetical protein 0.0036 0.0281 1
Schistosoma mansoni hypothetical protein 0.0015 0.0023 0.0012
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0754
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0419 0.14
Loa Loa (eye worm) jmjC domain-containing protein 0.0066 0.0651 0.2049
Trypanosoma brucei unspecified product 0.0019 0.0073 0.1262
Trypanosoma brucei trypanothione reductase 0.0047 0.0419 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0269 0.0235
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0269 0.09
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0073 0.1262
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0754
Loa Loa (eye worm) hypothetical protein 0.0055 0.0512 0.1578
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.007 0.0708 0.2373
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0073 0.1262
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0073 0.1262
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0073 0.1262
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0047 0.0605
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.117 0.4383
Entamoeba histolytica hypothetical protein 0.0036 0.0281 1
Schistosoma mansoni hypothetical protein 0.0032 0.023 0.0516
Echinococcus multilocularis tar DNA binding protein 0.0254 0.2993 0.2968
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0215 0.0479
Brugia malayi Bromodomain containing protein 0.0034 0.0258 0.0863
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0577 0.0946
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.109 0.3539
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0215 0.1746
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0073 0.1262
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0053 0.0019
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0073 0.0038
Schistosoma mansoni hypothetical protein 0.0069 0.0692 0.1638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0419 0.0974
Schistosoma mansoni tar DNA-binding protein 0.0254 0.2993 0.7235
Schistosoma mansoni bromodomain containing protein 0.0063 0.0622 0.1468
Brugia malayi Pre-SET motif family protein 0.0214 0.2501 0.8357
Echinococcus granulosus dna polymerase eta 0.0019 0.0073 0.0066
Brugia malayi glutathione reductase 0.0047 0.0419 0.1399
Echinococcus granulosus dna polymerase kappa 0.0019 0.0073 0.0066
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0036 0.0311
Brugia malayi Muscleblind-like protein 0.0154 0.1748 0.584
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.117 0.4383
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0229 0.0194
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0229 0.5042
Mycobacterium ulcerans lipase LipD 0.0035 0.0269 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0269 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0269 0.0903
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0047 0.0158
Echinococcus granulosus geminin 0.0345 0.413 0.715
Brugia malayi Melibiase family protein 0.007 0.0708 0.2367
Onchocerca volvulus 0.0035 0.0269 0.0204
Plasmodium vivax SET domain protein, putative 0.0031 0.0215 0.4687
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0047 0.0605
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0047 0.0303
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0036 0.0311
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0073 0.1262
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0215 0.0479
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.007 0.0708 0.1678
Brugia malayi jmjC domain containing protein 0.0104 0.1131 0.3778
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.007 0.0708 0.1678
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0384 0.035
Schistosoma mansoni tar DNA-binding protein 0.0254 0.2993 0.7235
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0754
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0336 0.0773
Schistosoma mansoni hypothetical protein 0.0345 0.413 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0269 0.0824
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0073 0.1262
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.109 0.3641
Brugia malayi Thioredoxin reductase 0.0047 0.0419 0.1399
Treponema pallidum NADH oxidase 0.0016 0.0036 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0281 0.0246
Loa Loa (eye worm) hypothetical protein 0.007 0.0708 0.2244
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.2865 0.494
Schistosoma mansoni hypothetical protein 0.0021 0.009 0.0174
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0036 0.0311
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0073 0.0088
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0047 0.0045
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.1146 0.2742
Schistosoma mansoni tar DNA-binding protein 0.0254 0.2993 0.7235
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0036 0.0311
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0281 0.064
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0269 0.061
Brugia malayi beta-lactamase family protein 0.0035 0.0269 0.09
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0384 0.0608
Toxoplasma gondii thioredoxin reductase 0.0047 0.0419 0.3552
Loa Loa (eye worm) hypothetical protein 0.0069 0.0692 0.2189
Leishmania major trypanothione reductase 0.0047 0.0419 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0269 0.0824
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0073 0.1262
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0229 0.0616
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0047 0.0605
Loa Loa (eye worm) hypothetical protein 0.0035 0.0269 0.0754
Leishmania major DNA polymerase kappa, putative 0.0019 0.0073 0.1262
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0073 0.1609
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0073 0.1262
Brugia malayi jmjC domain containing protein 0.004 0.0336 0.1123
Echinococcus multilocularis geminin 0.0345 0.413 0.4109
Echinococcus granulosus histone lysine methyltransferase setb 0.0048 0.0428 0.0685
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0047 0.0012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0419 0.0385
Plasmodium falciparum glutathione reductase 0.0047 0.0419 1
Echinococcus granulosus zinc finger protein 0.002 0.0077 0.0072
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0281 0.0428
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0073 0.1262
Brugia malayi Bromodomain containing protein 0.0038 0.031 0.1037
Schistosoma mansoni jumonji domain containing protein 0.0083 0.0864 0.2056
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0036 0.0311
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0269 0.0903
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0281 0.0247
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0201 0.0289
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0036 0.0153
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0036 0.0311
Loa Loa (eye worm) hypothetical protein 0.0019 0.0073 0.0088
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0073 0.1609
Plasmodium vivax glutathione reductase, putative 0.0047 0.0419 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0045 0.0017
Schistosoma mansoni hypothetical protein 0.005 0.0451 0.1052
Brugia malayi RNA binding protein 0.0254 0.2993 1
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0073 0.1262
Loa Loa (eye worm) RNA binding protein 0.0254 0.2993 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0269 0.0903
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0107 0.117 0.8578
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0229 0.0512
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0577 0.0544
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0419 0.0385
Loa Loa (eye worm) hypothetical protein 0.0243 0.2865 0.9564
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0047 0.0256
Brugia malayi hypothetical protein 0.0243 0.2865 0.9571
Schistosoma mansoni zinc finger protein 0.0015 0.0023 0.0012
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.023 0.034
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0073 0.1262
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0073 0.0145
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0047 0.007
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.2624 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.1748 0.5773
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0419 0.0669
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0048 0.0428 0.0394
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0073 0.1262
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.023 0.077
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0036 0.0311
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0269 0.0903
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0419 0.0974
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.023 0.0195
Plasmodium falciparum phd finger protein, putative 0.0032 0.0229 0.5042
Echinococcus granulosus peregrin 0.0034 0.0258 0.0389
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0036 0.0311
Mycobacterium tuberculosis Conserved protein 0.0035 0.0269 0.0903
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0047 0.0012
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.023 0.034
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0047 0.0256
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0073 0.1262
Leishmania major hypothetical protein, conserved 0.0035 0.0269 0.622
Brugia malayi RNA recognition motif domain containing protein 0.0254 0.2993 1
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0269 0.0903
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0336 0.0773
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.1319 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0269 0.622
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0419 0.1481
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.023 0.0195
Trichomonas vaginalis esterase, putative 0.0035 0.0269 0.0824
Schistosoma mansoni hypothetical protein 0.0345 0.413 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0036 0.0153
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0047 0.002
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0419 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.2501 0.833
Leishmania major DNA polymerase eta, putative 0.0019 0.0073 0.1262
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0692 0.2312
Echinococcus granulosus tar DNA binding protein 0.0254 0.2993 0.5164
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0047 0.0303
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0036 0.0311
Loa Loa (eye worm) hypothetical protein 0.0032 0.023 0.0621
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0419 0.0669
Brugia malayi isocitrate dehydrogenase 0.0017 0.0047 0.0158
Schistosoma mansoni hypothetical protein 0.0032 0.023 0.0516
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0047 0.0012
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0105 0.1146 0.1939
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.023 0.0621
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0047 0.0605
Brugia malayi Bromodomain containing protein 0.0075 0.0768 0.2567
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0036 0.0311
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0419 0.1261
Entamoeba histolytica hypothetical protein 0.0036 0.0281 1
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0419 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.1146 0.2742
Schistosoma mansoni hypothetical protein 0.0032 0.0229 0.0512
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0451 0.1507
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.1319 0.496
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0036 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0036 0.0311
Schistosoma mansoni tar DNA-binding protein 0.0254 0.2993 0.7235
Loa Loa (eye worm) hypothetical protein 0.0038 0.0311 0.0896
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0036 0.0311
Giardia lamblia PHD finger protein 15 0.0032 0.0229 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -1.93 % 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) = -0.13 % 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) = 3 % 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) = 3.43 % 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) = 4 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 9 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 89 % 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) = 2.7 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 3 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 4 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 9 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 89 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 5.76 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 1.73358 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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