Detailed information for compound 1225655

Basic information

Technical information
  • TDR Targets ID: 1225655
  • Name: 2-Chloro-N-(2,4-dimethylphenyl)acetamide
  • MW: 197.661 | Formula: C10H12ClNO
  • H donors: 1 H acceptors: 1 LogP: 2.45 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCC(=O)Nc1ccc(cc1C)C
  • InChi: 1S/C10H12ClNO/c1-7-3-4-9(8(2)5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
  • InChiKey: MZTGUDQVUJJYCK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-N-(2,4-dimethylphenyl)ethanamide
  • 39106-10-0
  • MLS001004621
  • SMR000348196
  • SBB004521
  • Acetamide, 2-chloro-N-(2,4-dimethylphenyl)-
  • EINECS 254-294-2
  • ZINC00137547

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0051 0.0496 0.092
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0768 0.0738
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0287 0.0681
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.0496 0.0465
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0768 0.3678
Loa Loa (eye worm) hypothetical protein 0.0312 0.3693 0.8917
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0148 0.1685 0.3996
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0005 0.0038
Echinococcus multilocularis Niemann Pick C1 protein 0.0144 0.1628 0.16
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0011 0.0005 0.0179
Trypanosoma brucei polo-like protein kinase 0.0102 0.1125 0.288
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.0135 0.0184
Schistosoma mansoni cpg binding protein 0.0068 0.0697 0.1292
Echinococcus granulosus intermediate filament protein 0.0028 0.0207 0.0325
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0102 0.1119 0.2075
Schistosoma mansoni cpg binding protein 0.0068 0.0697 0.1292
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0022 0.0139 0.0257
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0768 0.5746
Echinococcus multilocularis pyruvate kinase 0.0017 0.0084 0.0051
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0022 0.0135 0.0314
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0041 0.0000000010088
Echinococcus multilocularis musashi 0.0028 0.0207 0.0175
Loa Loa (eye worm) hypothetical protein 0.0022 0.0135 0.0314
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0067 0.0167
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0105 0.0204
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0148 0.1685 0.1658
Trypanosoma brucei ISWI complex protein 0.0018 0.0096 0.0079
Loa Loa (eye worm) hypothetical protein 0.011 0.1222 0.2943
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.1125 0.2085
Schistosoma mansoni hypothetical protein 0.0018 0.0096 0.0179
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0105 0.0241
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0105 0.3661
Echinococcus granulosus dnaJ subfamily B 0.0451 0.5392 1
Echinococcus granulosus lamin dm0 0.0028 0.0207 0.0325
Loa Loa (eye worm) hypothetical protein 0.0148 0.1682 0.4053
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0105 0.0135
Giardia lamblia Kinase, PLK 0.0102 0.1125 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1125 1
Echinococcus granulosus hypothetical protein 0.003 0.0231 0.0371
Echinococcus granulosus GPCR family 2 0.0051 0.0496 0.0864
Schistosoma mansoni hypothetical protein 0.0205 0.2376 0.4406
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.0496 0.1187
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0131 0.1473 0.2731
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0105 0.0268
Schistosoma mansoni survival motor neuron protein 0.0058 0.0583 0.1082
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0015 0.0058 0.0025
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3367 0.6221
Brugia malayi CHE-14 protein 0.0043 0.0398 0.0849
Onchocerca volvulus 0.0058 0.0583 0.108
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0414 0.1095
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.0496 0.0465
Echinococcus granulosus pyruvate kinase 0.0017 0.0084 0.0096
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0041 0.0000000010088
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0287 0.0755
Entamoeba histolytica serine/threonine protein kinase, putative 0.0102 0.1125 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0105 0.0934
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.1125 0.2999
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0105 0.1713
Echinococcus multilocularis pyruvate kinase 0.0017 0.0084 0.0051
Schistosoma mansoni hypothetical protein 0.011 0.1222 0.2267
Echinococcus multilocularis dnaJ subfamily B 0.0451 0.5392 0.5377
Echinococcus granulosus Niemann Pick C1 protein 0.01 0.11 0.1991
Schistosoma mansoni hypothetical protein 0.003 0.0231 0.0429
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0207 0.0382
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0768 0.3807
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0022 0.0135 0.0103
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0316 0.3738 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0026 0.0052
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.0287 0.0598
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0022 0.0135 0.3084
Echinococcus multilocularis pyruvate kinase 0.0017 0.0084 0.0051
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0287 0.0755
Schistosoma mansoni DNA helicase recq5 0.0022 0.0135 0.0251
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3367 0.3345
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0067 0.0505
Mycobacterium leprae Probable pyruvate kinase PykA 0.0034 0.0287 0.5
Brugia malayi CXXC zinc finger family protein 0.0062 0.0626 0.1406
Schistosoma mansoni intermediate filament proteins 0.0028 0.0207 0.0384
Echinococcus granulosus cpg binding protein 0.0068 0.0697 0.1239
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0768 0.3678
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0316 0.3738 1
Schistosoma mansoni hypothetical protein 0.0205 0.2376 0.4406
Echinococcus granulosus expressed conserved protein 0.0094 0.1025 0.1852
Schistosoma mansoni pyruvate kinase 0.0034 0.0287 0.0532
Loa Loa (eye worm) hypothetical protein 0.0051 0.0496 0.1187
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0031 0.0246 0.0457
Brugia malayi Temporarily assigned gene name protein 44 0.003 0.0231 0.0442
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.0135 0.0348
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0175 0.0411
Onchocerca volvulus Huntingtin homolog 0.0148 0.1682 0.423
Plasmodium falciparum pyruvate kinase 2 0.0017 0.0084 0.0753
Loa Loa (eye worm) hypothetical protein 0.0013 0.0033 0.0066
Echinococcus granulosus fetal alzheimer antigen falz 0.0031 0.0246 0.0399
Toxoplasma gondii pyruvate kinase PyKII 0.0017 0.0084 0.0628
Brugia malayi hypothetical protein 0.0148 0.1682 0.3988
Loa Loa (eye worm) hypothetical protein 0.0053 0.0517 0.1237
Echinococcus granulosus geminin 0.0205 0.2376 0.4372
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0398 0.0681
Echinococcus granulosus pyruvate kinase 0.0034 0.0287 0.0474
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0135 0.1011
Chlamydia trachomatis pyruvate kinase 0.0034 0.0287 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.0496 0.0864
Leishmania major pyruvate kinase 0.0034 0.0287 0.0598
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0135 0.0866
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0401 0.0688
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.1685 0.3125
Onchocerca volvulus Serine\/threonine kinase homolog 0.0102 0.1125 0.2632
Echinococcus multilocularis Niemann Pick C1 protein 0.01 0.11 0.1071
Echinococcus granulosus histone lysine methyltransferase setb 0.0022 0.0139 0.0198
Giardia lamblia Sgs1 DNA helicase, putative 0.0022 0.0135 0.0491
Schistosoma mansoni hypothetical protein 0.0025 0.0175 0.0325
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0135 0.0866
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0287 0.0229
Echinococcus multilocularis cpg binding protein 0.0068 0.0697 0.0666
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0067 0.0065
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0102 0.1125 0.2707
Loa Loa (eye worm) hypothetical protein 0.0034 0.0287 0.0681
Mycobacterium tuberculosis Conserved hypothetical protein 0.0166 0.1907 1
Echinococcus multilocularis zinc finger protein 0.0027 0.0203 0.0171
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0122 0.0227
Brugia malayi hypothetical protein 0.003 0.0231 0.0442
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0414 0.1095
Loa Loa (eye worm) hypothetical protein 0.0024 0.0161 0.0376
Schistosoma mansoni ap endonuclease 0.0019 0.0105 0.0195
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0041 0.0000000010088
Echinococcus granulosus bloom syndrome protein 0.0022 0.0135 0.0191
Schistosoma mansoni lamin 0.0028 0.0207 0.0384
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0054 0.0533 0.1414
Echinococcus granulosus pyruvate kinase 0.0017 0.0084 0.0096
Echinococcus granulosus lamin 0.0028 0.0207 0.0325
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0316 0.3738 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0148 0.1685 0.3083
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0768 0.3678
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.0135 0.0184
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0105 0.0073
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0105 0.0202
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0149 0.1701 0.4542
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0067 0.0167
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0398 0.3292
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0015 0.0058 0.0025
Brugia malayi latrophilin 2 splice variant baaae 0.011 0.1222 0.2865
Schistosoma mansoni hypothetical protein 0.0451 0.5392 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0135 0.3084
Echinococcus multilocularis pyruvate kinase 0.0034 0.0287 0.0255
Brugia malayi Bromodomain containing protein 0.0094 0.1022 0.2375
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0414 0.0944
Schistosoma mansoni hypothetical protein 0.003 0.0231 0.0429
Echinococcus multilocularis protein quaking 0.003 0.0231 0.0199
Schistosoma mansoni hypothetical protein 0.0051 0.0496 0.092
Toxoplasma gondii histone lysine methyltransferase SET1 0.012 0.1336 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0161 0.0376
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0122 0.0227
Trypanosoma cruzi ISWI complex protein 0.0018 0.0096 0.0244
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0491 0.4152
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0583 0.1302
Schistosoma mansoni ap endonuclease 0.0019 0.0105 0.0195
Brugia malayi Calcitonin receptor-like protein seb-1 0.0162 0.1848 0.4395
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0414 0.1095
Schistosoma mansoni hypothetical protein 0.0042 0.0379 0.0703
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0135 0.0207
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0131 0.0305
Loa Loa (eye worm) RecQ helicase 0.0022 0.0135 0.0314
Schistosoma mansoni patched 1 0.0043 0.0398 0.0738
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0015 0.0058 0.0047
Brugia malayi intermediate filament protein 0.0028 0.0207 0.0382
Leishmania major pyruvate kinase 0.0034 0.0287 0.0598
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0041 0.0000000010088
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1125 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0401 0.037
Loa Loa (eye worm) CXXC zinc finger family protein 0.0062 0.0626 0.15
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0102 0.1125 0.2037
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0207 0.0488
Schistosoma mansoni cpg binding protein 0.0062 0.0626 0.116
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0041 0.0000000010088
Echinococcus multilocularis protein dispatched 1 0.0049 0.0472 0.0441
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.0287 0.2146
Trypanosoma brucei pyruvate kinase 1 0.0034 0.0287 0.0598
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0287 0.0681
Echinococcus granulosus pyruvate kinase 0.0017 0.0084 0.0096
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0287 0.2267
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0149 0.1701 0.4449
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.1685 0.3125
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0022 0.0135 0.0191
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.0287 0.0578
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0287 0.2267
Loa Loa (eye worm) hypothetical protein 0.0028 0.0207 0.0488
Loa Loa (eye worm) tumor suppressor 0.0349 0.4141 1
Schistosoma mansoni bromodomain containing protein 0.008 0.0849 0.1574
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0287 0.0229
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0491 0.4152
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0104 0.0133
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0105 0.0133
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.00000000026423
Echinococcus granulosus zinc finger protein 0.0027 0.0203 0.0317
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0022 0.0139 0.0106
Loa Loa (eye worm) hypothetical protein 0.0043 0.0398 0.095
Loa Loa (eye worm) hypothetical protein 0.0286 0.3367 0.8128
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0067 0.0151
Brugia malayi PHD-finger family protein 0.0034 0.0281 0.0565
Loa Loa (eye worm) hypothetical protein 0.003 0.0231 0.0547
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0031 0.0246 0.0215
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0067 0.0035
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0022 0.0135 0.0103
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0022 0.0135 0.0191
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0067 0.2351
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0041 0.0000000010088
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0105 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.0496 0.1089
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0015 0.0058 0.0107
Brugia malayi Bromodomain containing protein 0.0046 0.0436 0.0943
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0104 0.0071
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0135 0.1011
Schistosoma mansoni lamin 0.0028 0.0207 0.0384
Loa Loa (eye worm) hypothetical protein 0.0013 0.0026 0.0052
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.0287 0.0578
Loa Loa (eye worm) hypothetical protein 0.0055 0.0544 0.1302
Echinococcus granulosus protein quaking 0.003 0.0231 0.0371
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0287 0.0681
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0076 0.0796 0.0766
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0135 0.0866
Echinococcus multilocularis expressed conserved protein 0.0094 0.1025 0.0996
Loa Loa (eye worm) hypothetical protein 0.01 0.11 0.2647
Loa Loa (eye worm) histone methyltransferase 0.0019 0.0104 0.0239
Echinococcus multilocularis GPCR, family 2 0.0051 0.0496 0.0465
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0105 0.0102
Brugia malayi hypothetical protein 0.0312 0.3693 0.8904
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0148 0.1685 0.1658
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1125 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0162 0.1848 0.4456
Loa Loa (eye worm) hypothetical protein 0.0049 0.0472 0.113
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0076 0.0796 0.1424
Schistosoma mansoni hypothetical protein 0.0058 0.0583 0.1082
Brugia malayi Niemann-Pick C1 protein precursor 0.01 0.11 0.2566
Loa Loa (eye worm) hypothetical protein 0.0148 0.1682 0.4053
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.0496 0.0864
Entamoeba histolytica recQ family helicase, putative 0.0022 0.0135 0.1201
Brugia malayi isocitrate dehydrogenase 0.0016 0.0067 0.0041
Brugia malayi Latrophilin receptor protein 2 0.0051 0.0496 0.1089
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0041 0.0000000010088
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0207 0.0488
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0148 0.1685 0.3083
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0768 0.1909
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0768 0.1424
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0067 0.0035
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.0135 0.0207
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0067 0.0035
Schistosoma mansoni pyruvate kinase 0.0017 0.0084 0.0156
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0768 0.1424
Schistosoma mansoni hypothetical protein 0.0042 0.0379 0.0703
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0135 0.0207
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.0287 0.1192
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0041 0.0000000010088
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0122 0.0167
Schistosoma mansoni hypothetical protein 0.0051 0.0496 0.092
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1125 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0067 0.0035
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0105 0.0589
Echinococcus granulosus Niemann Pick C1 protein 0.0144 0.1628 0.2976
Echinococcus granulosus mixed lineage leukemia protein mll 0.0015 0.0058 0.0047
Echinococcus multilocularis protein patched 0.0043 0.0398 0.0366
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.1685 0.3125
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0102 0.1125 0.1095
Echinococcus multilocularis pyruvate kinase 0.0034 0.0287 0.0255
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0105 0.0268
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1125 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0011 0.0005 0.001
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0102 0.1125 0.288
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.0161 0.1429
Echinococcus multilocularis lamin dm0 0.0028 0.0207 0.0175
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0105 1
Schistosoma mansoni hypothetical protein 0.0042 0.0379 0.0703
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0022 0.0139 0.0257
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0105 0.0589
Schistosoma mansoni hypothetical protein 0.0042 0.0379 0.0703
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0768 0.1372
Giardia lamblia Pyruvate kinase 0.0034 0.0287 0.1949
Echinococcus multilocularis pyruvate kinase 0.0027 0.0199 0.0167
Loa Loa (eye worm) hypothetical protein 0.0085 0.0916 0.2202
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0122 0.009
Loa Loa (eye worm) hypothetical protein 0.0027 0.0201 0.0473
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0287 0.0229
Brugia malayi hypothetical protein 0.0286 0.3367 0.8107
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.01 0.11 0.9781
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0149 0.1701 0.4449
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0135 0.0103
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0105 0.0102
Plasmodium vivax pyruvate kinase 2, putative 0.0017 0.0084 0.2927
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0162 0.1848 0.4395
Trypanosoma cruzi ISWI complex protein 0.0018 0.0096 0.0244
Brugia malayi serine/threonine-protein kinase plk-2 0.0102 0.1125 0.2626
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0398 0.0366
Plasmodium vivax pyruvate kinase, putative 0.0034 0.0287 1
Brugia malayi F/Y-rich N-terminus family protein 0.0021 0.0129 0.0192
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1125 1
Onchocerca volvulus 0.0062 0.0626 0.1201
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0067 0.0125
Echinococcus multilocularis geminin 0.0205 0.2376 0.2351
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.1125 0.2999
Echinococcus multilocularis lamin 0.0028 0.0207 0.0175
Schistosoma mansoni zinc finger protein 0.0018 0.0096 0.0179
Toxoplasma gondii hypothetical protein 0.0051 0.0494 0.3695
Schistosoma mansoni kinase 0.0052 0.0508 0.0941
Mycobacterium ulcerans hypothetical protein 0.0166 0.1907 1
Schistosoma mansoni zinc finger protein 0.0027 0.0203 0.0376
Loa Loa (eye worm) hypothetical protein 0.0162 0.1848 0.4456
Echinococcus granulosus pyruvate kinase 0.0034 0.0287 0.0474
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0398 0.095
Schistosoma mansoni pyruvate kinase 0.0034 0.0287 0.0532
Plasmodium falciparum pyruvate kinase 0.0034 0.0287 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0105 0.0786
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0051 0.011
Onchocerca volvulus Huntingtin homolog 0.0148 0.1682 0.423
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0067 0.0035
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0067 0.0505
Loa Loa (eye worm) hypothetical protein 0.0046 0.0437 0.1045
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0398 0.0681
Onchocerca volvulus 0.0312 0.3693 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0067 0.0041
Leishmania major mitochondrial DNA polymerase beta 0.0316 0.3738 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0139 0.0323
Brugia malayi tumor suppressor. 0.0349 0.4141 1
Schistosoma mansoni DNA helicase recq1 0.0022 0.0135 0.0251
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0148 0.1685 0.4062
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1125 1
Schistosoma mansoni hypothetical protein 0.0051 0.0496 0.092
Entamoeba histolytica recQ family DNA helicase 0.0011 0.0005 0.0046
Mycobacterium ulcerans pyruvate kinase 0.0034 0.0287 0.1009
Leishmania major hypothetical protein, conserved 0.0018 0.0096 0.0079

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.2818 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 1.8526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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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