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  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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

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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