Detailed information for compound 1525872

Basic information

Technical information
  • TDR Targets ID: 1525872
  • Name: 1-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)t etrazol-5-yl]methyl]-4-methylpiperazine hydro chloride
  • MW: 408.924 | Formula: C18H22ClFN6S
  • H donors: 0 H acceptors: 3 LogP: 3.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)C(c1nnnn1Cc1cccs1)c1ccc(cc1)F.Cl
  • InChi: 1S/C18H21FN6S.ClH/c1-23-8-10-24(11-9-23)17(14-4-6-15(19)7-5-14)18-20-21-22-25(18)13-16-3-2-12-26-16;/h2-7,12,17H,8-11,13H2,1H3;1H
  • InChiKey: AONTYCYMJUJXPT-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[(4-fluorophenyl)-[1-(2-thienylmethyl)tetrazol-5-yl]methyl]-4-methyl-piperazine hydrochloride
  • 1-[(4-fluorophenyl)-[1-(2-thienylmethyl)-5-tetrazolyl]methyl]-4-methylpiperazine hydrochloride
  • 1-[(4-fluorophenyl)-[1-(2-thenyl)tetrazol-5-yl]methyl]-4-methyl-piperazine hydrochloride
  • 1-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-methyl-piperazine hydrochloride
  • 1-[(4-Fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-4-methyl-piperazine
  • MLS000029957
  • SMR000005052

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Onchocerca volvulus 0.0123 0.5755 1
Brugia malayi PHD-finger family protein 0.0014 0.0093 0.0119
Plasmodium falciparum importin beta, putative 0.0018 0.0305 0.0766
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0022 0.0515 0.0504
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0016 0.0186 0.0174
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0153 0.7322 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0186 0.02
Schistosoma mansoni importin beta-1 0.0018 0.0305 0.0293
Toxoplasma gondii thioredoxin reductase 0.0027 0.0756 0.1223
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0016 0.0186 0.0254
Trichomonas vaginalis CAMK family protein kinase 0.0058 0.2414 0.4134
Leishmania major importin beta-1 subunit, putative 0.0014 0.0129 0.0096
Echinococcus multilocularis importin subunit beta 1 0.0018 0.0305 0.0293
Trichomonas vaginalis maltase-glucoamylase, putative 0.002 0.0424 0.0639
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0075 0.3254 1
Mycobacterium tuberculosis Probable reductase 0.0061 0.2522 0.4003
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0075 0.3254 0.5609
Leishmania major trypanothione reductase 0.0027 0.0756 0.0959
Mycobacterium tuberculosis Conserved hypothetical protein 0.0081 0.3562 0.5933
Echinococcus multilocularis thyroid hormone receptor alpha 0.0016 0.0186 0.0174
Trichomonas vaginalis chromobox protein, putative 0.0043 0.1617 0.2735
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.003 0.0961 0.095
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0025 0.0691 0.068
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0016 0.0186 0.0174
Schistosoma mansoni thyroid hormone receptor 0.0016 0.0186 0.0174
Brugia malayi hypothetical protein 0.0022 0.0515 0.0736
Entamoeba histolytica hypothetical protein 0.0022 0.0515 0.0799
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0075 0.3254 0.474
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0075 0.3254 0.4398
Plasmodium falciparum ataxin-2 like protein, putative 0.0014 0.0113 0.0165
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0075 0.3254 0.474
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0103 0.4705 0.4699
Mycobacterium tuberculosis Probable oxidoreductase 0.0067 0.2873 0.4654
Schistosoma mansoni ap endonuclease 0.0019 0.0364 0.0353
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0075 0.3254 0.5609
Trichomonas vaginalis CAMK family protein kinase 0.0029 0.0881 0.1442
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0364 0.0392
Loa Loa (eye worm) PHD-finger family protein 0.0018 0.0315 0.034
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0186 0.0174
Echinococcus granulosus peregrin 0.0019 0.0383 0.0372
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.002 0.0424 0.0639
Loa Loa (eye worm) hypothetical protein 0.0024 0.0633 0.0683
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.2414 0.2406
Echinococcus multilocularis alkaline phosphatase 0.0091 0.4083 0.4076
Schistosoma mansoni jumonji/arid domain-containing protein 0.0023 0.0567 0.0556
Brugia malayi jmjC domain containing protein 0.0059 0.2447 0.3561
Loa Loa (eye worm) hypothetical protein 0.0036 0.1234 0.133
Echinococcus multilocularis thioredoxin glutathione reductase 0.0027 0.0756 0.0745
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.002 0.0424 0.0639
Echinococcus multilocularis voltage dependent calcium channel 0.0103 0.4705 0.4699
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0091 0.4083 0.4076
Schistosoma mansoni hypothetical protein 0.0205 1 1
Onchocerca volvulus 0.0019 0.0362 0.061
Toxoplasma gondii PHD-finger domain-containing protein 0.0018 0.0315 0.0448
Brugia malayi jmjC domain containing protein 0.0023 0.0567 0.0812
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.0186 0.0174
Entamoeba histolytica hypothetical protein 0.0022 0.0515 0.0799
Schistosoma mansoni jumonji/arid domain-containing protein 0.0023 0.0567 0.0556
Brugia malayi ecdysteroid receptor 0.0016 0.0186 0.0254
Brugia malayi mbt repeat family protein 0.0027 0.0768 0.1106
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0058 0.2414 0.2604
Trypanosoma brucei importin beta-1 subunit, putative 0.0018 0.0305 0.0337
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0364 0.5
Schistosoma mansoni chromobox protein 0.0043 0.1617 0.1608
Loa Loa (eye worm) hypothetical protein 0.0016 0.0186 0.02
Echinococcus multilocularis cytidine deaminase 0.0123 0.5755 0.575
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0058 0.2414 0.3242
Schistosoma mansoni jun-related protein 0.0019 0.0351 0.034
Brugia malayi Glycosyl hydrolases family 31 protein 0.0091 0.4091 0.5964
Mycobacterium tuberculosis Probable dehydrogenase 0.0061 0.2522 0.4003
Trichomonas vaginalis CAMK family protein kinase 0.0058 0.2414 0.4134
Plasmodium vivax hypothetical protein, conserved 0.0018 0.0315 0.0798
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0103 0.4705 0.4699
Trichomonas vaginalis CAMK family protein kinase 0.0058 0.2414 0.4134
Trichomonas vaginalis CAMK family protein kinase 0.0058 0.2414 0.4134
Brugia malayi Thioredoxin reductase 0.0027 0.0756 0.1088
Loa Loa (eye worm) hypothetical protein 0.0018 0.0315 0.034
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0022 0.0495 0.0599
Trichomonas vaginalis chromobox protein, putative 0.0043 0.1617 0.2735
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.002 0.0409 0.0398
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0075 0.3254 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.003 0.0961 0.1388
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0424 0.0501
Loa Loa (eye worm) intermediate filament protein 0.0012 0.0012 0.0013
Loa Loa (eye worm) calcium channel 0.0103 0.4705 0.5074
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.002 0.0424 0.0639
Trypanosoma brucei PAB1-binding protein , putative 0.0014 0.0113 0.0072
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0364 0.0534
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0075 0.3254 0.4398
Loa Loa (eye worm) hypothetical protein 0.0016 0.0186 0.02
Echinococcus granulosus importin subunit beta 1 0.0018 0.0305 0.0293
Plasmodium vivax glutathione reductase, putative 0.0027 0.0756 0.218
Echinococcus multilocularis PHD finger protein rhinoceros 0.0018 0.0315 0.0304
Schistosoma mansoni RAR-like nuclear receptor 0.0016 0.0186 0.0174
Loa Loa (eye worm) hypothetical protein 0.0016 0.0186 0.02
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0075 0.3254 0.4398
Trichomonas vaginalis sucrase-isomaltase, putative 0.002 0.0424 0.0639
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0103 0.4705 0.6861
Leishmania major mitochondrial DNA polymerase beta 0.0153 0.7322 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0075 0.3254 0.5609
Schistosoma mansoni bromodomain containing protein 0.0035 0.1194 0.1184
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0016 0.0186 0.0254
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0067 0.2873 0.1085
Echinococcus granulosus lysine specific demethylase 5A 0.0023 0.0567 0.0556
Brugia malayi Bromodomain containing protein 0.0041 0.1531 0.2221
Echinococcus granulosus cytidine deaminase 0.0123 0.5755 0.575
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0016 0.0186 0.0254
Brugia malayi Bromodomain containing protein 0.0021 0.0477 0.0681
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0016 0.0186 0.0174
Brugia malayi RNA, U transporter 1 0.0051 0.2014 0.2927
Echinococcus granulosus alkaline phosphatase 0.0091 0.4083 0.4076
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0025 0.0691 0.068
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0364 0.0353
Brugia malayi mbt repeat family protein 0.0027 0.0768 0.1106
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0633 0.1007
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0153 0.7322 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0016 0.0186 0.0174
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0016 0.0186 0.0254
Echinococcus multilocularis lysosomal alpha glucosidase 0.0091 0.4091 0.4084
Leishmania major alpha glucosidase II subunit, putative 0.002 0.0424 0.0501
Schistosoma mansoni hypothetical protein 0.0047 0.1804 0.1794
Echinococcus multilocularis lysosomal alpha glucosidase 0.0091 0.4091 0.4084
Schistosoma mansoni hypothetical protein 0.0029 0.0902 0.0892
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0027 0.0768 0.0758
Trichomonas vaginalis CAMK family protein kinase 0.0058 0.2414 0.4134
Brugia malayi chromobox protein homolog 3 0.0024 0.0633 0.0909
Trypanosoma brucei importin beta-1 subunit, putative 0.0018 0.0305 0.0337
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.002 0.0409 0.0398
Entamoeba histolytica cytidine deaminase, putative 0.0123 0.5755 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.002 0.0424 0.0413
Trichomonas vaginalis alpha-glucosidase, putative 0.002 0.0424 0.0639
Plasmodium vivax thioredoxin reductase, putative 0.0027 0.0756 0.218
Trypanosoma cruzi cytidine deaminase-like protein 0.0123 0.5755 0.7842
Plasmodium falciparum phd finger protein, putative 0.0018 0.0315 0.0798
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.2447 0.2439
Brugia malayi photoreceptor-specific nuclear receptor 0.0016 0.0186 0.0254
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0424 0.0501
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0103 0.4705 0.4699
Schistosoma mansoni hypothetical protein 0.0191 0.9273 0.9272
Onchocerca volvulus 0.0029 0.0902 0.1551
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0072 0.3137 0.4238
Schistosoma mansoni myelin transcription factor 1 myt1 0.003 0.0961 0.095
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0016 0.0186 0.02
Trichomonas vaginalis chromobox protein, putative 0.0026 0.0729 0.1174
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0016 0.0186 0.02
Loa Loa (eye worm) hypothetical protein 0.0022 0.0543 0.0585
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0013 0.006 0.0071
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0036 0.1234 0.1616
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0364 0.0515
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0091 0.4091 0.4412
Loa Loa (eye worm) hypothetical protein 0.0018 0.0305 0.0329
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0364 0.0418
Echinococcus granulosus jumonji domain containing protein 0.0025 0.0682 0.0671
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0025 0.0691 0.068
Brugia malayi bZIP transcription factor family protein 0.0023 0.0576 0.0825
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0186 0.0254
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0033 0.1092 0.1081
Onchocerca volvulus 0.0123 0.5755 1
Brugia malayi PHD-finger family protein 0.0018 0.0315 0.0443
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0364 0.0534
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0014 0.0129 0.0122
Brugia malayi cytidine deaminase, identical 0.0123 0.5755 0.8396
Schistosoma mansoni jumonji domain containing protein 0.0047 0.1816 0.1807
Trypanosoma cruzi cytidine deaminase-like protein, putative 0.0123 0.5755 0.7842
Loa Loa (eye worm) hypothetical protein 0.0021 0.0479 0.0517
Plasmodium falciparum glutathione reductase 0.0027 0.0756 0.218
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0022 0.0515 0.0504
Trichomonas vaginalis CAMK family protein kinase 0.0058 0.2414 0.4134
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0027 0.0756 0.0728
Loa Loa (eye worm) hypothetical protein 0.0014 0.0113 0.0121
Brugia malayi Glycosyl hydrolases family 31 protein 0.002 0.0424 0.0602
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0016 0.0186 0.02
Echinococcus multilocularis survival motor neuron protein 1 0.0144 0.6852 0.6849
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0067 0.2873 0.4654
Echinococcus multilocularis polycomb protein SCMH1 0.0027 0.0768 0.0758
Schistosoma mansoni hypothetical protein 0.0167 0.803 0.8028
Echinococcus granulosus chromobox protein 1 0.0043 0.1617 0.1608
Toxoplasma gondii hypothetical protein 0.0031 0.101 0.1668
Schistosoma mansoni alpha-glucosidase 0.0078 0.3435 0.3427
Loa Loa (eye worm) steroid hormone receptor 0.0016 0.0186 0.02
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0103 0.4705 0.4699
Schistosoma mansoni chromobox protein 0.0043 0.1617 0.1608
Loa Loa (eye worm) hypothetical protein 0.0016 0.0186 0.02
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0016 0.0186 0.0254
Loa Loa (eye worm) voltage-dependent calcium channel 0.0036 0.1234 0.133
Schistosoma mansoni sex comb on midleg homolog 0.0027 0.0768 0.0758
Entamoeba histolytica hypothetical protein 0.0014 0.0129 0.0122
Loa Loa (eye worm) thioredoxin reductase 0.0027 0.0756 0.0815
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0025 0.0691 0.068
Loa Loa (eye worm) hypothetical protein 0.0016 0.0186 0.02
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0018 0.0315 0.0304
Plasmodium falciparum thioredoxin reductase 0.0027 0.0756 0.218
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0364 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0016 0.0186 0.0174
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0103 0.4705 0.4699
Onchocerca volvulus Protein ultraspiracle homolog 0.0016 0.0186 0.0303
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0025 0.0691 0.0993
Mycobacterium leprae PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE) 0.0123 0.5755 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0061 0.2522 0.4003
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0036 0.1234 0.1616
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0033 0.1092 0.1081
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0091 0.4083 0.4076
Echinococcus granulosus voltage dependent calcium channel 0.0036 0.1234 0.1223
Mycobacterium ulcerans hypothetical protein 0.0081 0.3562 0.5933
Echinococcus granulosus histone acetyltransferase MYST2 0.003 0.0961 0.095
Trypanosoma brucei cytidine deaminase 0.0123 0.5755 0.7842
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0016 0.0186 0.02
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0075 0.3254 0.4398
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0016 0.0186 0.0254
Brugia malayi hypothetical protein 0.0018 0.0318 0.0448
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0109 0.5056 0.5051
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0027 0.0768 0.1318
Trichomonas vaginalis cytidine deaminase, putative 0.0123 0.5755 1
Schistosoma mansoni hypothetical protein 0.0047 0.1822 0.1813
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0016 0.0186 0.0303
Loa Loa (eye worm) mbt repeat family protein 0.0027 0.0768 0.0828
Onchocerca volvulus Bile acid receptor homolog 0.0016 0.0186 0.0303
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0267 0.0363
Schistosoma mansoni alkaline phosphatase 0.0091 0.4083 0.4076
Schistosoma mansoni alpha-glucosidase 0.0078 0.3435 0.3427
Onchocerca volvulus 0.0016 0.0186 0.0303
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0075 0.3254 0.5609
Echinococcus granulosus PHD finger protein rhinoceros 0.0018 0.0315 0.0304
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0016 0.0186 0.0174
Echinococcus multilocularis FTZ F1 alpha 0.0016 0.0186 0.0174
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0016 0.0186 0.0174
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0016 0.0186 0.0254
Schistosoma mansoni steroid hormone receptor ad4bp 0.0016 0.0186 0.0174
Brugia malayi Heterochromatin protein 1 0.0043 0.1617 0.2348
Echinococcus granulosus ecdysone induced protein 78C 0.0016 0.0186 0.0174
Onchocerca volvulus 0.0027 0.0768 0.1318
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0022 0.0495 0.0599
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0016 0.0186 0.0174
Echinococcus granulosus snurportin 1 0.0191 0.9273 0.9272
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0058 0.2414 0.2406
Trichomonas vaginalis alpha-glucosidase, putative 0.002 0.0424 0.0639
Echinococcus granulosus neutral alpha glucosidase AB 0.002 0.0424 0.0413
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0012 0.0025 0.0013
Echinococcus multilocularis chromobox protein 1 0.0043 0.1617 0.1608
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0016 0.0186 0.0254
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0016 0.0186 0.02
Schistosoma mansoni kinase 0.003 0.0921 0.0911
Schistosoma mansoni sex comb on midleg homolog 0.0027 0.0768 0.0758
Toxoplasma gondii transporter, cation channel family protein 0.0036 0.1234 0.2061
Schistosoma mansoni hypothetical protein 0.0022 0.0515 0.0504
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0022 0.0495 0.0599
Trypanosoma cruzi PAB1-binding protein , putative 0.0014 0.0113 0.0072
Plasmodium falciparum ataxin-2 like protein, putative 0.0014 0.0113 0.0165
Loa Loa (eye worm) jmjC domain-containing protein 0.0023 0.0567 0.0611
Schistosoma mansoni transcription factor LCR-F1 0.0022 0.0515 0.0504
Loa Loa (eye worm) hypothetical protein 0.0023 0.0547 0.059
Echinococcus multilocularis jun protein 0.0023 0.0576 0.0565
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0012 0.0025 0.0013
Mycobacterium tuberculosis Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase) 0.0123 0.5755 1
Echinococcus multilocularis peregrin 0.0019 0.0383 0.0372
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0013 0.006 0.0048
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0103 0.4705 0.4699
Loa Loa (eye worm) hypothetical protein 0.0016 0.0186 0.02
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0191 0.9273 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0109 0.5056 0.5051
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.0186 0.0174
Schistosoma mansoni ran 0.0013 0.006 0.0048
Loa Loa (eye worm) hypothetical protein 0.0031 0.101 0.1089
Trypanosoma cruzi polo-like protein kinase, putative 0.0058 0.2414 0.3242
Schistosoma mansoni coup transcription factor 0.0016 0.0186 0.0174
Loa Loa (eye worm) hypothetical protein 0.0144 0.6852 0.7389
Echinococcus granulosus fetal alzheimer antigen falz 0.0012 0.0025 0.0013
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0103 0.4705 0.4699
Schistosoma mansoni survival motor neuron protein 0.0029 0.0902 0.0892
Echinococcus multilocularis jumonji domain containing protein 0.0025 0.0682 0.0671
Loa Loa (eye worm) hypothetical protein 0.003 0.0961 0.1036
Onchocerca volvulus Serine\/threonine kinase homolog 0.0058 0.2414 0.4184
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0075 0.3254 0.3509
Echinococcus granulosus chromobox protein 1 0.0043 0.1617 0.1608
Trypanosoma brucei RNA helicase, putative 0.0047 0.1804 0.2401
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0364 0.0418
Trypanosoma cruzi importin beta-1 subunit, putative 0.0014 0.0129 0.0096
Trichomonas vaginalis chromobox protein, putative 0.0026 0.0729 0.1174
Echinococcus multilocularis voltage dependent calcium channel 0.0103 0.4705 0.4699
Trichomonas vaginalis importin beta-1, putative 0.0014 0.0129 0.0122
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0026 0.0729 0.1248
Brugia malayi nuclear receptor NHR-88 0.0016 0.0186 0.0254
Trichomonas vaginalis CAMK family protein kinase 0.0029 0.0881 0.1442
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0025 0.0691 0.0745
Brugia malayi serine/threonine-protein kinase plk-2 0.0058 0.2414 0.3512
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0103 0.4705 0.4699
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0016 0.0186 0.02
Loa Loa (eye worm) hypothetical protein 0.0031 0.101 0.1089
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0267 0.0363
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0016 0.0186 0.0254
Echinococcus multilocularis geminin 0.0205 1 1
Mycobacterium ulcerans cytidine deaminase 0.0123 0.5755 1
Trypanosoma cruzi trypanothione reductase, putative 0.0027 0.0756 0.0959
Trypanosoma cruzi PAB1-binding protein , putative 0.0014 0.0113 0.0072
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0016 0.0186 0.0174
Brugia malayi Importin beta-1 subunit 0.0018 0.0305 0.0428
Brugia malayi hypothetical protein 0.0144 0.6852 1
Giardia lamblia Kinase, PLK 0.0058 0.2414 0.4134
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0061 0.2522 0.4003
Echinococcus granulosus thioredoxin glutathione reductase 0.0027 0.0756 0.0745
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0091 0.4083 0.4076
Onchocerca volvulus Alhambra homolog 0.0018 0.0315 0.0528
Schistosoma mansoni alkaline phosphatase 0.0091 0.4083 0.4076
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0364 0.0951
Brugia malayi glutathione reductase 0.0027 0.0756 0.1088
Brugia malayi hypothetical protein 0.0014 0.0113 0.0148
Echinococcus granulosus polycomb protein SCMH1 0.0027 0.0768 0.0758
Entamoeba histolytica hypothetical protein 0.0022 0.0515 0.0799
Brugia malayi Bromodomain containing protein 0.0019 0.0383 0.0543
Trichomonas vaginalis CAMK family protein kinase 0.0058 0.2414 0.4134
Schistosoma mansoni thyroid hormone receptor 0.0016 0.0186 0.0174
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0016 0.0186 0.0254
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0014 0.0129 0.0122
Plasmodium vivax ataxin-2 like protein, putative 0.0014 0.0113 0.0165
Toxoplasma gondii hypothetical protein 0.0025 0.0659 0.1052
Toxoplasma gondii exonuclease III APE 0.0019 0.0364 0.0534
Loa Loa (eye worm) hypothetical protein 0.0103 0.4705 0.5074
Trichomonas vaginalis alpha-glucosidase, putative 0.002 0.0424 0.0639
Loa Loa (eye worm) hypothetical protein 0.0012 0.0012 0.0013
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.002 0.0424 0.0639
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0091 0.4083 0.4076
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0016 0.0186 0.0174
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0016 0.0186 0.02
Onchocerca volvulus 0.0018 0.0318 0.0534
Schistosoma mansoni nuclear hormone receptor 0.0016 0.0186 0.0174
Loa Loa (eye worm) glutathione reductase 0.0027 0.0756 0.0815
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0016 0.0186 0.0174
Schistosoma mansoni ran 0.0013 0.006 0.0048
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0364 0.0534
Brugia malayi Steroid receptor seven-up type 2 0.0016 0.0186 0.0254
Echinococcus granulosus FTZ F1 alpha 0.0016 0.0186 0.0174
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.003 0.0961 0.095
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0075 0.3254 0.3509
Toxoplasma gondii HEAT repeat-containing protein 0.0018 0.0305 0.043
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0023 0.0576 0.0565
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0103 0.4705 0.4699
Giardia lamblia Cytidine deaminase 0.0123 0.5755 1
Schistosoma mansoni retinoic acid receptor RXR 0.0016 0.0186 0.0174
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.0186 0.0174
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0016 0.0186 0.0254
Schistosoma mansoni hypothetical protein 0.0205 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0768 0.0828
Echinococcus multilocularis snurportin 1 0.0191 0.9273 0.9272
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0023 0.0576 0.0565
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0025 0.0691 0.068
Toxoplasma gondii LsmAD domain-containing protein 0.0014 0.0113 0.0092
Leishmania major cytidine deaminase-like protein 0.0123 0.5755 0.7842
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0091 0.4083 0.4076
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0072 0.3137 0.4238
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0058 0.2414 0.2406
Loa Loa (eye worm) hypothetical protein 0.0024 0.0602 0.0649
Trichomonas vaginalis cytidine deaminase, putative 0.0123 0.5755 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0061 0.2522 0.4003
Echinococcus multilocularis ecdysone induced protein 78C 0.0016 0.0186 0.0174
Schistosoma mansoni voltage-gated cation channel 0.0103 0.4705 0.4699
Schistosoma mansoni alpha glucosidase 0.002 0.0424 0.0413
Echinococcus granulosus survival motor neuron protein 1 0.0144 0.6852 0.6849
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0061 0.2522 0.4003
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0016 0.0186 0.0174
Entamoeba histolytica hypothetical protein 0.0022 0.0515 0.0799
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0012 0.0012 0.0013
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0072 0.3137 0.4238
Trypanosoma brucei glucosidase, putative 0.002 0.0424 0.0501
Brugia malayi nuclear hormone receptor 0.0016 0.0186 0.0254
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0364 0.0353
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0067 0.2873 0.4654
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0022 0.0495 0.0599
Trypanosoma cruzi polo-like protein kinase, putative 0.0058 0.2414 0.3242
Echinococcus granulosus intestinal type alkaline phosphatase 0.0091 0.4083 0.4076
Trypanosoma brucei trypanothione reductase 0.0027 0.0756 0.0959
Loa Loa (eye worm) hypothetical protein 0.0031 0.0985 0.1062
Plasmodium vivax importin-beta 2, putative 0.0018 0.0305 0.0766
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0029 0.0902 0.1302
Echinococcus granulosus lysosomal alpha glucosidase 0.0091 0.4091 0.4084
Onchocerca volvulus 0.0053 0.2104 0.3643
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0364 0.0951
Loa Loa (eye worm) MBCTL1 0.003 0.0961 0.1036
Echinococcus granulosus jun protein 0.0023 0.0576 0.0565
Loa Loa (eye worm) hypothetical protein 0.0039 0.1408 0.1518
Echinococcus multilocularis SAM and MBT domain containing protein 0.0027 0.0768 0.0758
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0016 0.0186 0.0254
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0026 0.0739 0.0935
Schistosoma mansoni hypothetical protein 0.0018 0.0315 0.0304
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0016 0.0186 0.0174
Loa Loa (eye worm) heterochromatin protein 1 0.0043 0.1617 0.1744
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.002 0.0424 0.0457
Trichomonas vaginalis alpha-glucosidase, putative 0.002 0.0424 0.0639
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0024 0.0633 0.1082
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0075 0.3254 0.3246
Echinococcus granulosus voltage dependent calcium channel 0.0103 0.4705 0.4699
Brugia malayi steroid hormone receptor 0.0016 0.0186 0.0254
Echinococcus granulosus GTP binding nuclear protein Ran 0.0013 0.006 0.0048
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.2447 0.2439
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0075 0.3254 0.3246
Schistosoma mansoni hypothetical protein 0.0019 0.0351 0.034
Toxoplasma gondii cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein 0.0123 0.5755 1
Giardia lamblia PHD finger protein 15 0.0018 0.0315 0.0448
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0013 0.006 0.0065
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0153 0.7322 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.1313 0.1416
Echinococcus multilocularis chromobox protein 1 0.0043 0.1617 0.1608
Loa Loa (eye worm) hypothetical protein 0.0019 0.0362 0.039
Leishmania major hypothetical protein, conserved 0.0014 0.0113 0.0072
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0025 0.0691 0.068
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0633 0.1007
Trichomonas vaginalis alpha-glucosidase, putative 0.002 0.0424 0.0639
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0016 0.0186 0.0254
Loa Loa (eye worm) hypothetical protein 0.0016 0.0186 0.02
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0025 0.0691 0.068
Echinococcus multilocularis lysine specific demethylase 5A 0.0022 0.0512 0.0501
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0364 0.0418
Echinococcus multilocularis histone acetyltransferase MYST2 0.003 0.0961 0.095
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0364 0.0534
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0364 0.0418
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.0186 0.0174
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.002 0.0424 0.0639
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0075 0.3254 0.3246
Entamoeba histolytica serine/threonine protein kinase, putative 0.0058 0.2414 0.4134
Trypanosoma brucei polo-like protein kinase 0.0058 0.2414 0.3242
Toxoplasma gondii PHD-finger domain-containing protein 0.0018 0.0315 0.0448
Schistosoma mansoni ap endonuclease 0.0019 0.0364 0.0353
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0016 0.0186 0.0174
Echinococcus granulosus SAM and MBT domain containing protein 0.0027 0.0768 0.0758

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0259 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 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

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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