Detailed information for compound 1280166

Basic information

Technical information
  • TDR Targets ID: 1280166
  • Name: N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethy l)-3,5,6-trimethyl-1-benzofuran-2-carboxamide
  • MW: 407.889 | Formula: C24H22ClNO3
  • H donors: 0 H acceptors: 1 LogP: 5.93 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1CN(C(=O)c1oc2c(c1C)cc(c(c2)C)C)Cc1ccco1
  • InChi: 1S/C24H22ClNO3/c1-15-11-20-17(3)23(29-22(20)12-16(15)2)24(27)26(14-19-8-6-10-28-19)13-18-7-4-5-9-21(18)25/h4-12H,13-14H2,1-3H3
  • InChiKey: VFIQOLBPSJORAJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2-chlorophenyl)methyl]-N-(2-furylmethyl)-3,5,6-trimethyl-benzofuran-2-carboxamide
  • N-[(2-chlorophenyl)methyl]-N-(2-furylmethyl)-3,5,6-trimethyl-2-benzofurancarboxamide
  • N-(2-chlorobenzyl)-N-(2-furylmethyl)-3,5,6-trimethyl-benzofuran-2-carboxamide
  • D062-0730
  • NCGC00115375-01

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
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0059 0.0074
Brugia malayi Hsp90 protein 0.003 0.0242 0.1666
Trypanosoma brucei heat shock protein, putative 0.0045 0.0434 0.1261
Giardia lamblia Pyruvate kinase 0.0065 0.0695 1
Plasmodium vivax ubiquitin activating enzyme, putative 0.0047 0.0464 0.2146
Plasmodium vivax heat shock protein 86, putative 0.0045 0.0434 0.1997
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0034 0.0304 0.4283
Trypanosoma brucei pyruvate kinase 1 0.0065 0.0695 0.2086
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0059 0.0074
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Loa Loa (eye worm) hypothetical protein 0.0034 0.0304 0.19
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0059 0.0118
Giardia lamblia Heat shock protein HSP 90-alpha 0.0038 0.0351 0.4675
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0653 0.9394
Loa Loa (eye worm) hypothetical protein 0.0034 0.0304 0.19
Onchocerca volvulus Pyruvate kinase homolog 0.0065 0.0695 1
Trypanosoma cruzi heat shock protein, putative 0.003 0.0242 0.0653
Echinococcus multilocularis pyruvate kinase 0.0065 0.0695 0.0662
Schistosoma mansoni ubiquitin-activating enzyme E1b 0.0031 0.0258 0.3706
Plasmodium vivax acyl-CoA synthetase, putative 0.0034 0.0304 0.1346
Loa Loa (eye worm) hypothetical protein 0.0065 0.0695 0.4664
Loa Loa (eye worm) endoplasmin 0.0045 0.0434 0.2818
Plasmodium vivax heat shock protein 90, putative 0.003 0.0242 0.1034
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0059 0.0118
Echinococcus multilocularis pyruvate kinase 0.0033 0.0289 0.0255
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Echinococcus granulosus heat shock protein 90 0.0045 0.0434 0.6042
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0035 0.0242
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0027 0.0202 0.0528
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0653 0.062
Toxoplasma gondii pyruvate kinase PyKII 0.0033 0.0289 0.1272
Trypanosoma cruzi heat shock protein 90, putative 0.0045 0.0434 0.1261
Echinococcus granulosus heat shock protein 90 0.0038 0.0351 0.4788
Loa Loa (eye worm) pyruvate kinase 0.0014 0.0037 0.0012
Loa Loa (eye worm) Plcb4 protein 0.0017 0.0079 0.0307
Trichomonas vaginalis endoplasmin, putative 0.0032 0.0277 0.0764
Echinococcus granulosus pyruvate kinase 0.0065 0.0695 1
Echinococcus multilocularis pyruvate kinase 0.0033 0.0289 0.0255
Trypanosoma cruzi pyruvate kinase 2, putative 0.0065 0.0695 0.2086
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0035 0.0242
Plasmodium falciparum endoplasmin, putative 0.0032 0.0277 0.121
Leishmania major hypothetical protein, conserved 0.0259 0.3199 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.0454 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.028 0.393
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0653 0.9394
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.003 0.0242 0.3129
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0042 0.0399 0.5668
Entamoeba histolytica heat shock protein 90, putative 0.0045 0.0434 0.9523
Brugia malayi Variant SH3 domain containing protein 0.0124 0.145 1
Plasmodium falciparum pyruvate kinase 2 0.0033 0.0289 0.1272
Loa Loa (eye worm) ThiF family protein 0.0031 0.0258 0.1572
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0034 0.0304 0.4074
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0043 0.0408 0.5874
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0454 0.313
Trypanosoma cruzi hypothetical protein, conserved 0.0259 0.3199 1
Echinococcus granulosus pyruvate kinase 0.0033 0.0289 0.3849
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0042 0.0399 0.5
Trypanosoma cruzi heat shock protein 90, putative 0.0019 0.0101 0.0208
Schistosoma mansoni pyruvate kinase 0.0033 0.0289 0.416
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.0454 0.1324
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0124 0.145 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.0065 0.0695 0.4793
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0059 0.0404
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Trichomonas vaginalis heat shock protein, putative 0.0032 0.0277 0.0764
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0399 0.1149
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0014 0.0035 0.0354
Echinococcus multilocularis endoplasmin 0.0042 0.0399 0.0365
Schistosoma mansoni endoplasmin 0.0045 0.0434 0.6242
Onchocerca volvulus Pyruvate kinase homolog 0.0065 0.0695 1
Giardia lamblia Grp94/Hsp90 0.0042 0.0399 0.5412
Toxoplasma gondii heat shock protein HSP90 0.0045 0.0434 0.1997
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Plasmodium falciparum heat shock protein 90 0.0045 0.0434 0.1997
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Onchocerca volvulus 0.0018 0.0092 0.0855
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0059 0.0024
Schistosoma mansoni heat shock protein 0.0045 0.0434 0.6242
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0454 0.313
Trypanosoma cruzi hypothetical protein 0.0259 0.3199 1
Trypanosoma brucei ubiquitin-activating enzyme E1, putative 0.0031 0.0258 0.0703
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.0454 0.1324
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0059 0.0074
Echinococcus multilocularis pyruvate kinase 0.0033 0.0289 0.0255
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0653 0.4503
Plasmodium falciparum acyl-CoA synthetase 0.0034 0.0304 0.1346
Trypanosoma brucei heat shock protein 90, putative 0.0045 0.0434 0.1261
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0014 0.0035 0.0354
Plasmodium vivax pyruvate kinase, putative 0.0065 0.0695 0.3305
Loa Loa (eye worm) heat shock protein 90 0.0045 0.0434 0.2818
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0038 0.0351 0.4788
Loa Loa (eye worm) hypothetical protein 0.0046 0.0454 0.2959
Echinococcus multilocularis pyruvate kinase 0.0065 0.0695 0.0662
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0065 0.0695 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0092 0.0399
Echinococcus granulosus pyruvate kinase 0.0065 0.0695 1
Plasmodium falciparum heat shock protein 90, putative 0.0026 0.0194 0.0796
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0454 0.313
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Schistosoma mansoni heat shock protein 0.0045 0.0434 0.6242
Trypanosoma brucei pyruvate kinase 1, putative 0.0065 0.0695 0.2086
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0059 0.0697
Leishmania major phospholipase c-like protein 0.0018 0.0092 0.0178
Echinococcus multilocularis heat shock protein 90 0.0038 0.0351 0.0317
Plasmodium falciparum phosphoinositide-specific phospholipase C 0.0017 0.0079 0.0217
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0014 0.0035 0.0354
Loa Loa (eye worm) hypothetical protein 0.0047 0.0464 0.3029
Trypanosoma cruzi Heat shock protein 83, putative 0.0045 0.0434 0.1261
Toxoplasma gondii heat shock protein 90, putative 0.0045 0.0434 0.1997
Trichomonas vaginalis conserved hypothetical protein 0.0259 0.3199 1
Plasmodium falciparum SUMO-activating enzyme subunit 2 0.0031 0.0258 0.1114
Toxoplasma gondii Hsp90 domain-containing protein 0.0169 0.2032 1
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0047 0.0464 0.6494
Loa Loa (eye worm) hypothetical protein 0.0018 0.0092 0.0399
Trichomonas vaginalis molybdopterin biosynthesis moeb protein, putative 0.0015 0.0049 0.0044
Plasmodium vivax pyruvate kinase 2, putative 0.0033 0.0289 0.1272
Plasmodium falciparum heat shock protein 90, putative 0.0169 0.2032 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0653 0.9394
Trichomonas vaginalis heat shock protein, putative 0.0026 0.0194 0.0502
Loa Loa (eye worm) hypothetical protein 0.0034 0.0304 0.19
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.003 0.0242 0.0207
Trypanosoma cruzi heat shock protein 90, putative 0.0038 0.0351 0.0999
Chlamydia trachomatis pyruvate kinase 0.0065 0.0695 1
Onchocerca volvulus 0.0046 0.0454 0.6344
Trichomonas vaginalis pyruvate kinase, putative 0.0065 0.0695 0.2086
Trypanosoma cruzi heat shock protein 85, putative 0.0038 0.0351 0.0999
Entamoeba histolytica pyruvate kinase, putative 0.0045 0.0443 0.9735
Trichomonas vaginalis heat shock protein, putative 0.0038 0.0351 0.0999
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0035 0.0354
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0059 0.0118
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0035 0.0242
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0046 0.0454 0.6344
Entamoeba histolytica 90 kDa heat shock protein, putative 0.003 0.0242 0.4932
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0035 0.0242
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0035 0.0354
Giardia lamblia Pyruvate kinase 0.0033 0.0289 0.3716
Echinococcus granulosus tar DNA binding protein 0.0062 0.0653 0.9362
Trypanosoma brucei Heat shock protein 83, putative 0.0045 0.0434 0.1261
Trypanosoma cruzi pyruvate kinase 2, putative 0.0065 0.0695 0.2086
Brugia malayi heat shock protein 90 0.0045 0.0434 0.2992
Leishmania major pyruvate kinase 0.0065 0.0695 0.2086
Onchocerca volvulus 0.0018 0.0092 0.0855
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0059 0.0024
Echinococcus multilocularis heat shock protein 0.0045 0.0434 0.04
Trypanosoma brucei heat shock protein, putative 0.0045 0.0434 0.1261
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0059 0.0024
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0014 0.0035 0.0242
Entamoeba histolytica acyl-coA synthetase, putative 0.0046 0.0454 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0065 0.0695 0.4793
Loa Loa (eye worm) hypothetical protein 0.0045 0.0443 0.2881
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0042 0.0399 0.5509
Leishmania major pyruvate kinase 0.0065 0.0695 0.2086
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0059 0.0843
Brugia malayi pyruvate kinase, muscle isozyme 0.0014 0.0037 0.0254
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0454 0.6344
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0653 0.9394
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0046 0.0454 0.6344
Echinococcus multilocularis heat shock protein 90 0.0045 0.0434 0.04
Plasmodium vivax phospholipase C-like, putative 0.0017 0.0079 0.0217
Entamoeba histolytica heat shock protein 90, putative 0.0045 0.0434 0.9523
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.0454 0.6344
Echinococcus granulosus pyruvate kinase 0.0033 0.0289 0.3849
Loa Loa (eye worm) pyruvate kinase-PB 0.0045 0.0443 0.2881
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.0454 0.1324
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0653 0.9394
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0059 0.0356
Loa Loa (eye worm) hypothetical protein 0.0046 0.0454 0.2959
Loa Loa (eye worm) pyruvate kinase 0.0065 0.0695 0.4664
Giardia lamblia Heat shock protein HSP 90-alpha 0.0045 0.0434 0.5956
Leishmania major heat shock protein, putative 0.003 0.0242 0.0653
Trypanosoma brucei heat shock protein, putative 0.0045 0.0434 0.1261
Brugia malayi RNA binding protein 0.0062 0.0653 0.4503
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0014 0.0035 0.0354
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0454 0.6344
Plasmodium vivax endoplasmin, putative 0.0045 0.0434 0.1997
Brugia malayi pyruvate kinase 0.0014 0.0037 0.0254
Mycobacterium ulcerans hypothetical protein 0.0046 0.0454 0.6344
Trypanosoma brucei heat shock protein, putative 0.0045 0.0434 0.1261
Toxoplasma gondii ThiF family protein 0.0031 0.0258 0.1114
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0046 0.0454 0.6344
Schistosoma mansoni endoplasmin 0.0045 0.0434 0.6242
Toxoplasma gondii heat shock protein 75, putative 0.003 0.0242 0.1034
Trichomonas vaginalis pyruvate kinase, putative 0.0065 0.0695 0.2086
Loa Loa (eye worm) pyruvate kinase 0.0065 0.0695 0.4664
Trypanosoma brucei heat shock protein, putative 0.0045 0.0434 0.1261
Trypanosoma brucei heat shock protein 90, putative 0.0045 0.0434 0.1261
Leishmania major ubiquitin-activating enzyme-like protein 0.0031 0.0258 0.0703
Schistosoma mansoni acetyl-CoA synthetase 0.0014 0.0035 0.0505
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.028 0.393
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0047 0.0464 0.043
Trypanosoma brucei heat shock protein, putative 0.0045 0.0434 0.1261
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0014 0.0035 0.0354
Treponema pallidum heat shock protein 90 0.0042 0.0399 0.5
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0017 0.0079 0.0541
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.0434 0.1261
Plasmodium vivax SUMO-activating enzyme subunit 2, putative 0.0031 0.0258 0.1114
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0014 0.0035 0.0354
Brugia malayi 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4 0.0017 0.0079 0.0541
Leishmania major phosphatidylinositol-specific phospholipase-like protein 0.0017 0.0079 0.0137
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0046 0.0454 0.6474
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0059 0.0024
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0014 0.0035 0.0354
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.0434 0.1261
Trypanosoma cruzi hypothetical protein 0.0259 0.3199 1
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.0434 0.1261
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0653 0.4366
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0046 0.0454 0.6474
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0059 0.0118
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0399 0.1149
Plasmodium vivax heat shock protein, putative 0.0169 0.2032 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0035 0.0354
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0454 0.6344
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0046 0.0454 0.6344
Echinococcus granulosus endoplasmin 0.0042 0.0399 0.5509
Schistosoma mansoni pyruvate kinase 0.0065 0.0695 1
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0035 0.0242
Brugia malayi isocitrate dehydrogenase 0.0015 0.0059 0.0404
Echinococcus multilocularis SUMO activating enzyme subunit 2 0.0031 0.0258 0.0223
Echinococcus granulosus pyruvate kinase 0.0033 0.0289 0.3849
Mycobacterium ulcerans pyruvate kinase 0.0065 0.0695 1
Mycobacterium ulcerans heat shock protein 90 0.0042 0.0399 0.5509
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0059 0.0074
Trypanosoma brucei heat shock protein, putative 0.0045 0.0434 0.1261
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.002 0.0113 0.0782
Trypanosoma brucei nucleoside 2-deoxyribosyltransferase 0.0259 0.3199 1
Trypanosoma brucei heat shock protein 84, putative 0.003 0.0242 0.0653
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.0454 1
Echinococcus granulosus sumo-activating enzyme subunit 2 0.0031 0.0258 0.3371
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.028 0.393
Brugia malayi ThiF family protein 0.0031 0.0258 0.1776
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0059 0.0074
Mycobacterium leprae Probable pyruvate kinase PykA 0.0065 0.0695 1
Schistosoma mansoni heat shock protein 0.003 0.0242 0.3476
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Toxoplasma gondii pyruvate kinase PyK1 0.0065 0.0695 0.3305
Trypanosoma brucei heat shock protein, putative 0.0045 0.0434 0.1261
Echinococcus multilocularis 1 phosphatidylinositol 4,5 bisphosphate 0.0018 0.0092 0.0057
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0018 0.0092 0.0631
Trichomonas vaginalis heat shock protein, putative 0.0045 0.0434 0.1261
Loa Loa (eye worm) hypothetical protein 0.0034 0.0304 0.19
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0042 0.0399 0.1149
Brugia malayi Endoplasmin precursor 0.0045 0.0434 0.2992
Loa Loa (eye worm) hypothetical protein 0.0017 0.0079 0.0307
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.028 0.393
Loa Loa (eye worm) heat shock protein 75 0.003 0.0242 0.1459
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0047 0.0464 0.2146
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.0454 0.6344
Schistosoma mansoni pyruvate kinase 0.0065 0.0695 1
Trypanosoma cruzi hypothetical protein, conserved 0.0259 0.3199 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0035 0.0354
Loa Loa (eye worm) RNA binding protein 0.0062 0.0653 0.4366
Trypanosoma cruzi phosphoinositide-specific phospholipase C, putative 0.0018 0.0092 0.0178
Echinococcus multilocularis pyruvate kinase 0.0051 0.0519 0.0486
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.0018 0.0092 0.0399
Echinococcus granulosus heat shock protein 0.0045 0.0434 0.6042
Toxoplasma gondii hypothetical protein 0.0047 0.0464 0.2146
Loa Loa (eye worm) hypothetical protein 0.0034 0.0304 0.19
Plasmodium falciparum pyruvate kinase 0.0065 0.0695 0.3305
Echinococcus granulosus 1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4 0.0018 0.0092 0.0855
Trypanosoma cruzi ubiquitin-activating enzyme-like protein 0.0015 0.0049 0.0044
Schistosoma mansoni phospholipase C beta 0.0017 0.0079 0.1129
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0047 0.0464 0.6671
Leishmania major phosphoinositide-specific phospholipase C, putative 0.0017 0.0079 0.0137
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.003 0.0242 0.3129
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Trypanosoma brucei phosphoinositide-specific phospholipase C 0.0018 0.0092 0.0178
Trypanosoma cruzi hypothetical protein, conserved 0.0259 0.3199 1
Onchocerca volvulus Pyruvate kinase homolog 0.0065 0.0695 1
Brugia malayi TAR-binding protein 0.0062 0.0653 0.4503
Toxoplasma gondii phosphoinositide phospholipase PIPLC 0.0018 0.0092 0.0283
Loa Loa (eye worm) hypothetical protein 0.0046 0.0454 0.2959
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0653 0.4366
Loa Loa (eye worm) pyruvate kinase 0.0065 0.0695 0.4664
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0031 0.0258 0.0703
Brugia malayi ThiF family protein 0.0047 0.0464 0.3198
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0059 0.0166
Leishmania major heat shock protein 83-1 0.0045 0.0434 0.1261
Entamoeba histolytica ubiquitin-activating enzyme, putative 0.0015 0.0049 0.0334
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0059 0.0024

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 1000 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

No literature references available for this target.

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