Detailed information for compound 1429774

Basic information

Technical information
  • TDR Targets ID: 1429774
  • Name: N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-yl sulfonylphenyl]-4-fluorobenzamide
  • MW: 474.591 | Formula: C24H31FN4O3S
  • H donors: 1 H acceptors: 3 LogP: 3.15 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(cc1)F)S(=O)(=O)N1CCCCC1
  • InChi: 1S/C24H31FN4O3S/c1-2-27-14-16-28(17-15-27)23-11-10-21(33(31,32)29-12-4-3-5-13-29)18-22(23)26-24(30)19-6-8-20(25)9-7-19/h6-11,18H,2-5,12-17H2,1H3,(H,26,30)
  • InChiKey: LYGATBVOTBDKMA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(4-ethylpiperazin-1-yl)-5-(1-piperidylsulfonyl)phenyl]-4-fluoro-benzamide
  • N-[2-(4-ethyl-1-piperazinyl)-5-(1-piperidylsulfonyl)phenyl]-4-fluorobenzamide
  • N-[2-(4-ethylpiperazin-1-yl)-5-piperidinosulfonyl-phenyl]-4-fluoro-benzamide
  • N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-4-fluoro-benzamide
  • MLS000409105
  • SMR000248512

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.0689 0.2673
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0047 0.0294 0.1001
Giardia lamblia TCP-1 chaperonin subunit beta 0.0025 0.0135 0.0961
Trypanosoma brucei polo-like protein kinase 0.01 0.0689 0.2673
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0074 0.0493 0.0438
Loa Loa (eye worm) hypothetical protein 0.0157 0.1108 0.1106
Brugia malayi RNA recognition motif domain containing protein 0.0184 0.1309 0.624
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0074 0.0493 0.5991
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0029 0.0027
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0008 0.0003 0.0001
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0048 0.0305 0.0271
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0001
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0135 0.0132
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0177 0.1252 0.125
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0113 0.0785 0.3076
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0113 0.0785 0.3735
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0016 0.0066 0.0033
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0689 0.3289
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0008 0.0003 0.0002
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase 0.0113 0.0785 0.0731
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.069 0.5049 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0113 0.0785 0.3076
Leishmania major hypothetical protein, conserved 0.0113 0.0785 0.3076
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0113 0.0785 1
Schistosoma mansoni tar DNA-binding protein 0.0184 0.1309 0.1307
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase GlpD2 0.0113 0.0785 0.0731
Schistosoma mansoni d-amino acid oxidase 0.136 1 1
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0113 0.0785 0.3788
Echinococcus granulosus cytochrome P450 2K1 0.0015 0.0058 0.0168
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0008 0.0003 0.0003
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0003 0.0001
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0218 0.0427
Leishmania major T-complex protein 1, beta subunit, putative 0.0025 0.0135 0.0326
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0689 0.3289
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0016 0.0066 0.0009
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0177 0.1252 0.125
Trypanosoma brucei cytochrome P450, putative 0.0024 0.0127 0.0292
Loa Loa (eye worm) hypothetical protein 0.0113 0.0785 0.0782
Schistosoma mansoni hypothetical protein 0.0205 0.146 0.1457
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0113 0.0785 0.3735
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2058 0.4073
Brugia malayi steroid hormone receptor 0.0008 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0113 0.0785 0.0782
Echinococcus granulosus serine:threonine protein kinase PLK1 0.01 0.0689 0.2085
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0047 0.0294 0.1001
Brugia malayi glutaminase DH11.1 0.0291 0.2096 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0074 0.0493 0.5948
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.181 0.1808
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0008 0.0003 0.0001
Brugia malayi Cytochrome P450 family protein 0.0024 0.0127 0.0593
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0008 0.0003 0.0013
Schistosoma mansoni smad1 5 8 and 0.001 0.0019 0.0017
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0127 0.0292
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0008 0.0003 0.0001
Schistosoma mansoni glutaminase 0.0291 0.2096 0.2094
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.0003 0.0003
Schistosoma mansoni fad oxidoreductase 0.0113 0.0785 0.0782
Loa Loa (eye worm) hypothetical protein 0.0034 0.0196 0.0193
Onchocerca volvulus Putative fad oxidoreductase 0.0113 0.0785 0.3788
Brugia malayi MH1 domain containing protein 0.001 0.0019 0.0079
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.0003 0.0003
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0074 0.0493 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0158 0.1117 0.4484
Brugia malayi Steroid receptor seven-up type 2 0.0008 0.0003 0.0003
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0003 0.0001
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0008 0.0003 0.0001
Loa Loa (eye worm) steroid hormone receptor 0.0008 0.0003 0.0001
Leishmania major cytochrome p450-like protein 0.0024 0.0127 0.0292
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0113 0.0785 0.155
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0424 0.0835
Schistosoma mansoni tar DNA-binding protein 0.0184 0.1309 0.1307
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.0734 0.0731
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0177 0.1252 0.2476
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.0003 0.0003
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0016 0.0066 0.0063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0008 0.0003 0.0001
Loa Loa (eye worm) hypothetical protein 0.0106 0.0734 0.0731
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.0485 0.2303
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0048 0.0305 0.0271
Loa Loa (eye worm) Smad1 0.001 0.0019 0.0017
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0113 0.0785 0.3076
Mycobacterium leprae Possible thiamine biosynthesis oxidoreductase ThiO 0.0113 0.0785 0.0731
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0113 0.0785 0.0782
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.0003 0.0003
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0008 0.0003 0.0001
Trichomonas vaginalis set domain proteins, putative 0.0287 0.2067 0.9861
Echinococcus granulosus geminin 0.0205 0.146 0.4424
Echinococcus granulosus ecdysone induced protein 78C 0.0008 0.0003 0.0002
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0015 0.0037
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0196 0.0922
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0003 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0008 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0113 0.0785 0.0782
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0196 0.0193
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0008 0.0003 0.0001
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.0003 0.0003
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.0003 0.0003
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0015 0.0037
Brugia malayi hypothetical protein 0.0286 0.2058 0.9819
Schistosoma mansoni Smad4 0.001 0.0019 0.0017
Toxoplasma gondii t-complex protein beta subunit 0.0025 0.0135 0.1059
Entamoeba histolytica serine/threonine protein kinase, putative 0.01 0.0689 0.8783
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0001
Schistosoma mansoni smad1 5 8 and 0.001 0.0019 0.0017
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.0734 0.3493
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0019 0.0033
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0025 0.0135 0.0077
Onchocerca volvulus 0.0058 0.0377 0.1815
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0008 0.0003 0.0002
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0028 0.0122
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0182 0.0179
Schistosoma mansoni cytochrome P450 0.0015 0.0058 0.0055
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0008 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0157 0.1108 0.1106
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0314 0.15
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0008 0.0003 0.0001
Echinococcus granulosus muscleblind protein 0.0157 0.1108 0.3356
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0074 0.0493 0.0438
Brugia malayi nuclear receptor NHR-88 0.0008 0.0003 0.0003
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0689 0.3289
Brugia malayi TAR-binding protein 0.0184 0.1309 0.624
Echinococcus multilocularis Smad4 0.001 0.0019 0.0033
Plasmodium vivax SET domain protein, putative 0.0037 0.0218 0.2122
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0016 0.0066 0.0807
Trichomonas vaginalis ap endonuclease, putative 0.0016 0.0066 0.0314
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0025 0.0135 0.1619
Brugia malayi Pre-SET motif family protein 0.0037 0.0218 0.103
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0218 0.0427
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0008 0.0003 0.0001
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0424 0.0422
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.0294 0.1001
Echinococcus granulosus GPCR family 2 0.0034 0.0196 0.0586
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0113 0.0785 0.3076
Loa Loa (eye worm) TAR-binding protein 0.0184 0.1309 0.1307
Loa Loa (eye worm) glutaminase 2 0.0291 0.2096 0.2094
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0113 0.0785 0.3076
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0184 0.1309 0.1307
Echinococcus granulosus smad 0.001 0.0019 0.005
Echinococcus multilocularis dnaJ subfamily B 0.0453 0.3296 0.6527
Brugia malayi MH2 domain containing protein 0.001 0.0019 0.0079
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0074 0.0493 0.5991
Echinococcus granulosus FTZ F1 alpha 0.0008 0.0003 0.0002
Brugia malayi nuclear hormone receptor 0.0008 0.0003 0.0003
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0218 0.0216
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0008 0.0003 0.0003
Mycobacterium ulcerans hypothetical protein 0.0176 0.125 0.1198
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.01 0.0689 0.1361
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0158 0.1117 0.4484
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0218 0.0655
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0001
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0001
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0689 0.3289
Onchocerca volvulus 0.0037 0.0218 0.1045
Loa Loa (eye worm) hypothetical protein 0.0074 0.0493 0.0491
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.0402 0.4735
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0424 0.0368
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0334 0.242 1
Loa Loa (eye worm) cytochrome P450 0.0015 0.0058 0.0055
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.0135 0.0631
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.0003 0.0003
Echinococcus multilocularis smad 0.001 0.0019 0.0033
Loa Loa (eye worm) T-complex protein 1 0.0025 0.0135 0.0132
Echinococcus granulosus tar DNA binding protein 0.0184 0.1309 0.3966
Toxoplasma gondii hypothetical protein 0.0054 0.0346 0.3958
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0196 0.0922
Brugia malayi Muscleblind-like protein 0.0157 0.1108 0.5281
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0074 0.0493 0.0972
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0008 0.0003 0.0013
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0424 0.0402
Brugia malayi CXXC zinc finger family protein 0.0032 0.0182 0.0856
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0455 0.0453
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.0689 0.2673
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.01 0.0689 0.0687
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.01 0.0689 0.2673
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0048 0.0305 0.0248
Trichomonas vaginalis ap endonuclease, putative 0.0016 0.0066 0.0314
Schistosoma mansoni kinase 0.0051 0.0324 0.0322
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0016 0.0066 0.0008
Leishmania major mitochondrial DNA polymerase beta 0.0334 0.242 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0019 0.0033
Mycobacterium ulcerans D-amino acid oxidase Aao 0.136 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0424 0.0422
Toxoplasma gondii exonuclease III APE 0.0016 0.0066 0.0108
Echinococcus multilocularis geminin 0.0205 0.146 0.2887
Mycobacterium tuberculosis Possible thiamine biosynthesis oxidoreductase ThiO 0.0113 0.0785 0.0798
Mycobacterium tuberculosis Conserved hypothetical protein 0.0176 0.125 0.1309
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0127 0.0124
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0113 0.0785 0.2374
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0424 0.155
Echinococcus granulosus cpg binding protein 0.0034 0.0195 0.0585
Schistosoma mansoni tar DNA-binding protein 0.0184 0.1309 0.1307
Schistosoma mansoni serine/threonine protein kinase 0.01 0.0689 0.0687
Echinococcus multilocularis ecdysone induced protein 78C 0.0008 0.0003 0.0001
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0424 0.0368
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0218 0.0216
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0008 0.0003 0.0001
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0424 0.1279
Loa Loa (eye worm) hypothetical protein 0.0009 0.0016 0.0013
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0689 0.3289
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0203 0.0609
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0135 0.0132
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0074 0.0493 0.0438
Brugia malayi Pre-SET motif family protein 0.0252 0.181 0.8634
Brugia malayi Cytochrome P450 family protein 0.0024 0.0127 0.0593
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0113 0.0785 0.0782
Brugia malayi Cytochrome P450 family protein 0.0015 0.0058 0.0264
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0019 0.005
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0074 0.0493 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0008 0.0003 0.0001
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0008 0.0003 0.0002
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0025 0.0135 0.169
Echinococcus multilocularis muscleblind protein 1 0.0157 0.1108 0.2191
Schistosoma mansoni ap endonuclease 0.0016 0.0066 0.0063
Schistosoma mansoni smad1 5 8 and 0.001 0.0019 0.0017
Onchocerca volvulus Protein ultraspiracle homolog 0.0008 0.0003 0.0003
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0334 0.242 1
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0314 0.15
Schistosoma mansoni ap endonuclease 0.0016 0.0066 0.0063
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0689 0.3289
Schistosoma mansoni cpg binding protein 0.0034 0.0195 0.0193
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0057 0.0371 0.1323
Schistosoma mansoni tar DNA-binding protein 0.0184 0.1309 0.1307
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0019 0.0017
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0008 0.0003 0.0002
Loa Loa (eye worm) RNA binding protein 0.0184 0.1309 0.1307
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0113 0.0785 0.3788
Giardia lamblia Kinase, PLK 0.01 0.0689 0.8676
Onchocerca volvulus 0.0032 0.0182 0.0868
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0113 0.0785 0.3076
Schistosoma mansoni cpg binding protein 0.0032 0.0182 0.0179
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0008 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0001
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0025 0.0135 0.0326
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0025 0.0135 0.0963
Echinococcus multilocularis GPCR, family 2 0.0034 0.0196 0.0383
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0113 0.0785 1
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0113 0.0785 0.3076
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0113 0.0785 0.2374
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.136 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0029 0.0053
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.0135 0.0631
Brugia malayi RNA binding protein 0.0184 0.1309 0.624
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0218 0.2207
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0377 0.1789
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0016 0.0066 0.0033
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0016 0.0066 0.0191
Schistosoma mansoni smad 0.001 0.0019 0.0017
Echinococcus multilocularis cpg binding protein 0.0034 0.0195 0.0382
Schistosoma mansoni hypothetical protein 0.0034 0.0196 0.0193
Onchocerca volvulus 0.0287 0.2067 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0008 0.0003 0.0001
Echinococcus multilocularis FTZ F1 alpha 0.0008 0.0003 0.0001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0177 0.1252 0.125
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0008 0.0003 0.0003
Brugia malayi photoreceptor-specific nuclear receptor 0.0008 0.0003 0.0003
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0218 0.0216
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0016 0.0066 0.0033
Trichomonas vaginalis glutaminase, putative 0.0291 0.2096 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0196 0.0586
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0689 0.3289
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0019 0.005
Loa Loa (eye worm) hypothetical protein 0.0073 0.0485 0.0482
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0003 0.0002
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0003 0.0001
Schistosoma mansoni steroid hormone receptor ad4bp 0.0008 0.0003 0.0001
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0177 0.1252 0.5967
Brugia malayi Probable ClpP-like protease 0.0074 0.0493 0.2343
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0008 0.0003 0.0013
Trichomonas vaginalis chaperonin, putative 0.0025 0.0135 0.0644
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0008 0.0003 0.0001
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0127 0.0292
Schistosoma mansoni hypothetical protein 0.0034 0.0196 0.0193
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0177 0.1252 0.3793
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1013 0.101
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0113 0.0785 0.3076
Schistosoma mansoni NAD dehydrogenase 0.0113 0.0785 0.0782
Schistosoma mansoni peptidase Clp (S14 family) 0.0074 0.0493 0.0491
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0358 0.0355
Schistosoma mansoni hypothetical protein 0.0015 0.0058 0.0055
Echinococcus multilocularis tar DNA binding protein 0.0184 0.1309 0.2589
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 0.0003 0.0001
Schistosoma mansoni retinoic acid receptor RXR 0.0008 0.0003 0.0001
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0218 0.0216
Schistosoma mansoni hypothetical protein 0.0034 0.0196 0.0193
Echinococcus multilocularis thyroid hormone receptor alpha 0.0008 0.0003 0.0001
Brugia malayi MH2 domain containing protein 0.0144 0.1013 0.4824
Schistosoma mansoni tar DNA-binding protein 0.0184 0.1309 0.1307
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0025 0.0135 0.0401
Schistosoma mansoni hypothetical protein 0.0058 0.0377 0.0375
Brugia malayi MH1 domain containing protein 0.001 0.0019 0.0079
Brugia malayi Cytochrome P450 family protein 0.0056 0.0358 0.1697
Brugia malayi exodeoxyribonuclease III family protein 0.0016 0.0066 0.0301
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0008 0.0003 0.0013
Brugia malayi MH2 domain containing protein 0.001 0.0019 0.0079
Schistosoma mansoni fad oxidoreductase 0.0113 0.0785 0.0782
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0074 0.0493 0.5948
Onchocerca volvulus Bile acid receptor homolog 0.0008 0.0003 0.0003
Brugia malayi cDNA sequence BC016226 0.0113 0.0785 0.3735
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0025 0.0135 0.0963
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0113 0.0785 1
Schistosoma mansoni hypothetical protein 0.0205 0.146 0.1457
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0196 0.0586
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0424 0.0368
Echinococcus multilocularis 0.0015 0.0058 0.0109
Loa Loa (eye worm) CYP4Cod1 0.0024 0.0127 0.0124
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0113 0.0785 0.3076
Loa Loa (eye worm) hypothetical protein 0.0286 0.2058 0.2056
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0008 0.0003 0.0003
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0016 0.0066 0.0033
Chlamydia trachomatis D-amino acid dehydrogenase 0.0113 0.0785 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0377 0.0375
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0001
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0113 0.0785 0.3076
Echinococcus granulosus dnaJ subfamily B 0.0453 0.3296 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0016 0.0066 0.0125
Schistosoma mansoni nuclear hormone receptor 0.0008 0.0003 0.0001
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0424 0.5039
Loa Loa (eye worm) hypothetical protein 0.0037 0.0218 0.0216
Schistosoma mansoni hypothetical protein 0.0034 0.0196 0.0193
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0008 0.0003 0.0001
Mycobacterium leprae Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase) 0.0113 0.0785 0.0731
Echinococcus multilocularis peptidase Clp (S14 family) 0.0048 0.0305 0.0599
Plasmodium falciparum T-complex protein 1 subunit beta 0.0025 0.0135 0.0961
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0113 0.0785 0.0731
Brugia malayi ecdysteroid receptor 0.0008 0.0003 0.0003
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0177 0.1252 0.3793
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0008 0.0003 0.0002
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0113 0.0785 0.0782
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0001
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0025 0.0135 0.0326
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0008 0.0003 0.0013
Mycobacterium ulcerans glutaminase 0.0291 0.2096 0.205
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0113 0.0785 1
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0008 0.0003 0.0013
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0003 0.0001
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0001
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0025 0.0135 0.0961
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0019 0.0017
Onchocerca volvulus 0.0008 0.0003 0.0003
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0008 0.0003 0.0001
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0113 0.0785 0.3076
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0024 0.0127 0.0069
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0113 0.0785 1
Echinococcus granulosus peptidase Clp S14 family 0.0048 0.0305 0.0918
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0025 0.0135 0.0644
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0113 0.0785 0.155
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0029 0.008
Toxoplasma gondii hypothetical protein 0.0113 0.0785 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0158 0.1117 0.4484
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0015 0.0024
Leishmania major hypothetical protein, conserved 0.0113 0.0785 0.3076
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0113 0.0785 0.3076
Echinococcus granulosus Smad4 0.001 0.0019 0.005
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0113 0.0785 0.3076
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0015 0.0012
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0334 0.242 1
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0008 0.0003 0.0013
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0127 0.0124
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0074 0.0493 0.149
Schistosoma mansoni RAR-like nuclear receptor 0.0008 0.0003 0.0001
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1013 0.101
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0025 0.0135 0.0262
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0008 0.0003 0.0001
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0008 0.0003 0.0013
Schistosoma mansoni hypothetical protein 0.0453 0.3296 0.3295
Schistosoma mansoni hypothetical protein 0.0073 0.0485 0.0482
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0113 0.0785 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0177 0.1252 0.125
Brugia malayi Smad1 0.001 0.0019 0.0079
Brugia malayi RE18450p 0.0113 0.0785 0.3735
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0177 0.1252 0.2476
Loa Loa (eye worm) glutaminase 0.0291 0.2096 0.2094
Schistosoma mansoni cpg binding protein 0.0034 0.0195 0.0193
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0135 0.0132
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0196 0.0383
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2058 0.6241
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0015 0.0024
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.1246 0.9162 1
Echinococcus multilocularis muscleblind protein 0.0157 0.1108 0.2191
Brugia malayi cytochrome P450 0.0015 0.0058 0.0264
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0019 0.0017
Schistosoma mansoni coup transcription factor 0.0008 0.0003 0.0001
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0196 0.0383
Mycobacterium ulcerans thiamine biosynthesis oxidoreductase ThiO 0.0113 0.0785 0.0731
Onchocerca volvulus Serine\/threonine kinase homolog 0.01 0.0689 0.3327
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.0734 0.3493
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0008 0.0003 0.0003
Brugia malayi serine/threonine-protein kinase plk-2 0.01 0.0689 0.328
Toxoplasma gondii hypothetical protein 0.0025 0.0135 0.106
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0047 0.0294 0.1001

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1636 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) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 7.3078 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) 9.285 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) 10 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) 14.7157 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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.
 
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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