Detailed information for compound 1412628

Basic information

Technical information
  • TDR Targets ID: 1412628
  • Name: (4-benzylpiperazin-1-yl)-[1-(4-methylphenyl)s ulfonylpiperidin-2-yl]methanone hydrochloride
  • MW: 478.047 | Formula: C24H32ClN3O3S
  • H donors: 0 H acceptors: 3 LogP: 3.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)N1CCN(CC1)Cc1ccccc1.Cl
  • InChi: 1S/C24H31N3O3S.ClH/c1-20-10-12-22(13-11-20)31(29,30)27-14-6-5-9-23(27)24(28)26-17-15-25(16-18-26)19-21-7-3-2-4-8-21;/h2-4,7-8,10-13,23H,5-6,9,14-19H2,1H3;1H
  • InChiKey: WGYQTZIFVHZFSD-UHFFFAOYSA-N  

Network

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Synonyms

  • (4-benzylpiperazin-1-yl)-[1-(p-tolylsulfonyl)-2-piperidyl]methanone hydrochloride
  • (4-benzyl-1-piperazinyl)-[1-(p-tolylsulfonyl)-2-piperidinyl]methanone hydrochloride
  • (4-benzylpiperazin-1-yl)-(1-tosyl-2-piperidyl)methanone hydrochloride
  • [1-(4-methylphenyl)sulfonylpiperidin-2-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone hydrochloride
  • MLS000053890
  • SMR000064225

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0293 0.1917 0.1917
Loa Loa (eye worm) blistered cuticle protein 3 0.0026 0.0038 0.0038
Toxoplasma gondii peptidase family M13 protein 0.0387 0.2581 1
Echinococcus granulosus importin subunit beta 1 0.0028 0.0052 0.0052
Echinococcus multilocularis endothelin converting enzyme 1 0.0387 0.2581 0.2581
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.5722 0.5722
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0094 0.0519 0.0519
Echinococcus granulosus geminin 0.0363 0.2411 0.2411
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0688 0.4698 0.4698
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0098 0.0548 0.0548
Schistosoma mansoni chromobox protein 0.0082 0.043 0.043
Loa Loa (eye worm) hypothetical protein 0.0098 0.0548 0.0548
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0109 0.0109
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0084 0.0084
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0141 0.0848 0.0848
Trypanosoma brucei Aminopeptidase M1, putative 0.0141 0.0848 1
Trichomonas vaginalis chromobox protein, putative 0.0049 0.0202 0.108
Schistosoma mansoni hypothetical protein 0.0101 0.0566 0.0566
Echinococcus multilocularis GPCR, family 2 0.0034 0.0093 0.0093
Brugia malayi Importin beta-1 subunit 0.0028 0.0052 0.0068
Loa Loa (eye worm) hypothetical protein 0.0293 0.1917 0.1917
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0098 0.0548 1
Schistosoma mansoni hypothetical protein 0.0101 0.0566 0.0566
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0049 0.0203 0.0203
Loa Loa (eye worm) heterochromatin protein 1 0.0082 0.043 0.043
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0141 0.0848 0.0848
Loa Loa (eye worm) peptidase family M13 containing protein 0.0286 0.1869 0.1869
Echinococcus multilocularis lamin dm0 0.0033 0.0084 0.0084
Schistosoma mansoni peroxidasin 0.0026 0.0038 0.0038
Brugia malayi Peptidase family M1 containing protein 0.0098 0.0548 0.0722
Loa Loa (eye worm) hypothetical protein 0.0098 0.0548 0.0548
Plasmodium falciparum importin beta, putative 0.0028 0.0052 0.0949
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.0038
Schistosoma mansoni aminopeptidase A (M01 family) 0.0098 0.0548 0.0548
Loa Loa (eye worm) hypothetical protein 0.0387 0.2581 0.2581
Loa Loa (eye worm) hypothetical protein 0.0032 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0073 0.0369 0.0369
Echinococcus granulosus microtubule associated protein 2 0.0833 0.5722 0.5722
Loa Loa (eye worm) hypothetical protein 0.02 0.1265 0.1265
Giardia lamblia PHD finger protein 15 0.0034 0.0096 1
Onchocerca volvulus 0.0098 0.0548 0.0675
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0195 0.123 0.123
Schistosoma mansoni jumonji domain containing protein 0.0089 0.0481 0.0481
Echinococcus granulosus snurportin 1 0.0299 0.1958 0.1958
Trichomonas vaginalis chromobox protein, putative 0.0082 0.043 0.23
Echinococcus granulosus aminopeptidase N 0.0299 0.1958 0.1958
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0038 0.005
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0195 0.123 0.123
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0195 0.123 0.123
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0109 0.0109
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.0369 0.0486
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0094 0.0519 0.0519
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0093 0.0093
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0098 0.0548 1
Onchocerca volvulus 0.0299 0.1958 0.2541
Trypanosoma cruzi aminopeptidase, putative 0.0141 0.0848 1
Brugia malayi TATA binding protein associated factor 0.0098 0.0548 0.0722
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0093 0.0093
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0098 0.0548 1
Echinococcus granulosus lamin 0.0033 0.0084 0.0084
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0109 0.0109
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.0096 0.0096
Echinococcus multilocularis peregrin 0.0034 0.0096 0.0096
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0141 0.0848 0.0848
Brugia malayi Heterochromatin protein 1 0.0082 0.043 0.0566
Mycobacterium leprae probable zinc metalloprotease 0.0387 0.2581 0.5
Echinococcus granulosus peregrin 0.0034 0.0096 0.0096
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.0096 0.0096
Loa Loa (eye worm) peptidase family M13 containing protein 0.0286 0.1869 0.1869
Entamoeba histolytica aminopeptidase, putative 0.0141 0.0848 1
Echinococcus multilocularis aminopeptidase N 0.0299 0.1958 0.1958
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.5722 0.5722
Echinococcus multilocularis chromobox protein 1 0.0082 0.043 0.043
Toxoplasma gondii aminopeptidase n, putative 0.0098 0.0548 0.2124
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0038 0.005
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.0607 0.0799
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0177 0.0949
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0052 0.0052
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0141 0.0848 0.4538
Echinococcus multilocularis snurportin 1 0.0299 0.1958 0.1958
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0043 0.0155 0.0155
Brugia malayi Peroxidasin 0.0026 0.0038 0.005
Brugia malayi Peptidase family M1 containing protein 0.0141 0.0848 0.1117
Echinococcus multilocularis chromobox protein 1 0.0082 0.043 0.043
Brugia malayi jmjC domain containing protein 0.0112 0.0643 0.0847
Loa Loa (eye worm) hypothetical protein 0.0286 0.1869 0.1869
Brugia malayi peptidase family M13 containing protein 0.0094 0.0519 0.0683
Echinococcus granulosus jumonji domain containing protein 0.0048 0.019 0.019
Loa Loa (eye worm) leukotriene A4 hydrolase 0.1441 1 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0098 0.0548 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0052 0.0613
Loa Loa (eye worm) hypothetical protein 0.0107 0.0607 0.0607
Onchocerca volvulus 0.0033 0.0084 0.0061
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0109 0.0109
Schistosoma mansoni importin beta-1 0.0028 0.0052 0.0052
Schistosoma mansoni hypothetical protein 0.0363 0.2411 0.2411
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0141 0.0848 0.0848
Schistosoma mansoni hypothetical protein 0.0034 0.0093 0.0093
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1869 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1624 0.1624
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.0038
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0141 0.0848 0.0848
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0098 0.0548 0.6462
Loa Loa (eye worm) hypothetical protein 0.0036 0.0109 0.0109
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0052 0.0202
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0038 0.0038
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.0096 0.0096
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0141 0.0848 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0101 0.0566 0.0566
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0084 0.0084
Echinococcus multilocularis musashi 0.0033 0.0084 0.0084
Mycobacterium ulcerans aminopeptidase N PepN 0.0141 0.0848 0.1477
Brugia malayi hypothetical protein 0.0098 0.0548 0.0722
Echinococcus multilocularis jumonji domain containing protein 0.0048 0.019 0.019
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0112 0.0643 0.0643
Toxoplasma gondii aminopeptidase N protein 0.0098 0.0548 0.2124
Onchocerca volvulus Phospholipase A2 homolog 0.1099 0.7594 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0084 0.0084
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0098 0.0548 0.6462
Schistosoma mansoni hypothetical protein 0.0034 0.0096 0.0096
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0098 0.0548 0.6462
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0038 0.0038
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0141 0.0848 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.0038
Brugia malayi intermediate filament protein 0.0033 0.0084 0.0111
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.0038
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0038 0.005
Brugia malayi Pre-SET motif family protein 0.0251 0.1624 0.2139
Schistosoma mansoni hypothetical protein 0.0073 0.0369 0.0369
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0099 0.0099
Schistosoma mansoni neprilysin-2 (M13 family) 0.0195 0.123 0.123
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0098 0.0548 0.2932
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0192 0.1205 0.1205
Loa Loa (eye worm) zinc metallopeptidase 4 0.0094 0.0519 0.0519
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0038 0.005
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0094 0.0519 0.0519
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.0038
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.0038
Schistosoma mansoni hypothetical protein 0.0101 0.0566 0.0566
Loa Loa (eye worm) hypothetical protein 0.0293 0.1917 0.1917
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0015 0.0079
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0352 0.0352
Loa Loa (eye worm) hypothetical protein 0.0286 0.1869 0.1869
Schistosoma mansoni hypothetical protein 0.0101 0.0566 0.0566
Echinococcus multilocularis leukotriene A 4 hydrolase 0.1441 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.0038
Brugia malayi RNA, U transporter 1 0.008 0.0415 0.0547
Echinococcus multilocularis peroxidasin 0.0026 0.0038 0.0038
Echinococcus granulosus chromobox protein 1 0.0082 0.043 0.043
Onchocerca volvulus 0.0033 0.0084 0.0061
Schistosoma mansoni hypothetical protein 0.0034 0.0093 0.0093
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0043 0.0155 0.0155
Plasmodium vivax importin-beta 2, putative 0.0028 0.0052 0.0949
Brugia malayi hypothetical protein 0.0141 0.0848 0.1117
Trichomonas vaginalis chromobox protein, putative 0.0082 0.043 0.23
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0141 0.0848 0.4538
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.0038
Schistosoma mansoni hypothetical protein 0.0101 0.0566 0.0566
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.0607 0.0799
Onchocerca volvulus 0.0141 0.0848 0.1072
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0146 0.0146
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0098 0.0548 0.6462
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0141 0.0848 0.0848
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0034 0.0096 0.0096
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0098 0.0548 0.0548
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0141 0.0848 0.0848
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0015 0.0079
Brugia malayi Phospholipase A2 family protein 0.1099 0.7594 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0096 0.037
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0109 0.0422
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0093 0.0093
Brugia malayi PHD-finger family protein 0.0034 0.0096 0.0126
Trypanosoma cruzi Aminopeptidase M1, putative 0.0141 0.0848 1
Trypanosoma brucei aminopeptidase, putative 0.0098 0.0548 0.6462
Loa Loa (eye worm) hypothetical protein 0.0034 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0387 0.2581 0.2581
Echinococcus granulosus chromobox protein 1 0.0082 0.043 0.043
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0195 0.123 0.123
Brugia malayi jmjC domain containing protein 0.0041 0.0146 0.0193
Loa Loa (eye worm) hypothetical protein 0.0046 0.0177 0.0177
Schistosoma mansoni hypothetical protein 0.0299 0.1958 0.1958
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.0038
Echinococcus granulosus tm gpcr rhodopsin 0.0812 0.5571 0.5571
Mycobacterium ulcerans zinc metalloprotease 0.0387 0.2581 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0141 0.0848 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0109 0.1985
Loa Loa (eye worm) hypothetical protein 0.0059 0.0267 0.0267
Onchocerca volvulus 0.0286 0.1869 0.2423
Brugia malayi chromobox protein homolog 3 0.0046 0.0177 0.0233
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0093 0.0093
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0141 0.0848 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0093 0.0093
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0083 0.0445
Brugia malayi Peptidase family M13 containing protein 0.0387 0.2581 0.3398
Echinococcus granulosus peroxidasin 0.0026 0.0038 0.0038
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0015 0.0174
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0109 0.0109
Brugia malayi Peptidase family M1 containing protein 0.0299 0.1958 0.2578
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0049 0.0202 0.0217
Loa Loa (eye worm) hypothetical protein 0.0286 0.1869 0.1869
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0043 0.0155 0.1829
Brugia malayi Bromodomain containing protein 0.0034 0.0096 0.0126
Echinococcus granulosus lamin dm0 0.0033 0.0084 0.0084
Brugia malayi hypothetical protein 0.0026 0.0038 0.005
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0141 0.0848 1
Loa Loa (eye worm) hypothetical protein 0.0293 0.1917 0.1917
Loa Loa (eye worm) peptidase family M1 containing protein 0.0256 0.1658 0.1658
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0387 0.2581 0.2581
Loa Loa (eye worm) hypothetical protein 0.0043 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0387 0.2581 0.2581
Loa Loa (eye worm) hypothetical protein 0.0043 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0036 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0098 0.0548 0.0548
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0093 0.0122
Toxoplasma gondii aminopeptidase N, putative 0.0098 0.0548 0.2124
Schistosoma mansoni hypothetical protein 0.0363 0.2411 0.2411
Echinococcus multilocularis lamin 0.0033 0.0084 0.0084
Trichomonas vaginalis chromobox protein, putative 0.0049 0.0202 0.108
Loa Loa (eye worm) hypothetical protein 0.0293 0.1917 0.1917
Schistosoma mansoni lamin 0.0033 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.0038
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0052 0.0613
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0098 0.0548 0.6462
Schistosoma mansoni peroxidasin 0.0026 0.0038 0.0038
Onchocerca volvulus 0.0192 0.1205 0.1545
Schistosoma mansoni lamin 0.0033 0.0084 0.0084
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0141 0.0848 0.0848
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0084 0.0111
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0083 0.0445
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0141 0.0848 0.0848
Loa Loa (eye worm) TATA binding protein associated factor 0.0098 0.0548 0.0548
Loa Loa (eye worm) hypothetical protein 0.1099 0.7594 0.7594
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0038 0.0038
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0177 0.0949
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0038 0.0038
Onchocerca volvulus 0.0036 0.0108 0.0092
Schistosoma mansoni endothelin-converting enzyme-related 0.0094 0.0519 0.0519
Entamoeba histolytica hypothetical protein 0.0023 0.0015 0.0174
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.0038
Echinococcus granulosus endothelin converting enzyme 1 0.0387 0.2581 0.2581
Loa Loa (eye worm) aminopeptidase N 0.0141 0.0848 0.0848
Echinococcus granulosus GPCR family 2 0.0034 0.0093 0.0093
Echinococcus multilocularis geminin 0.0363 0.2411 0.2411
Loa Loa (eye worm) hypothetical protein 0.0028 0.0052 0.0052
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0112 0.0643 0.0643
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0015 0.0079
Brugia malayi Blistered cuticle protein 3 0.0026 0.0038 0.005
Trypanosoma cruzi aminopeptidase, putative 0.0098 0.0548 0.6462
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0094 0.0519 0.0519
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0098 0.0548 0.0548
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0096 0.037
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0387 0.2581 0.3398
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.0096 0.0096
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0146 0.0146
Plasmodium falciparum phd finger protein, putative 0.0034 0.0096 0.1744
Echinococcus granulosus intermediate filament protein 0.0033 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0293 0.1917 0.1917
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0177 0.0184
Schistosoma mansoni chromobox protein 0.0082 0.043 0.043
Brugia malayi Angiotensin-converting enzyme family protein 0.0688 0.4698 0.6186
Brugia malayi Pre-SET motif family protein 0.0036 0.0109 0.0143
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0093 0.0122
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.1441 1 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.1958 0.1958
Brugia malayi hypothetical protein 0.0652 0.4444 0.5852
Schistosoma mansoni neprilysin 0.0101 0.0566 0.0566
Onchocerca volvulus Alhambra homolog 0.0034 0.0096 0.0076
Onchocerca volvulus Phospholipase A2 homolog 0.1099 0.7594 1
Leishmania major importin beta-1 subunit, putative 0.0023 0.0015 0.0174
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0098 0.0548 0.6462
Schistosoma mansoni hypothetical protein 0.0034 0.0093 0.0093
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0146 0.0146
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0141 0.0848 0.0848
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.0038
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0141 0.0848 0.0848
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0096 0.1744
Schistosoma mansoni hypothetical protein 0.0101 0.0566 0.0566
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0387 0.2581 0.5
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0094 0.0519 0.0519
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0141 0.0848 0.0848
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.1099 0.7594 0.7594
Loa Loa (eye worm) hypothetical protein 0.0158 0.0965 0.0965
Schistosoma mansoni hypothetical protein 0.0034 0.0093 0.0093
Onchocerca volvulus 0.0049 0.0203 0.0218
Loa Loa (eye worm) hypothetical protein 0.0286 0.1869 0.1869
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0812 0.5571 0.5571
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0038 0.005
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.0607 0.0607
Schistosoma mansoni intermediate filament proteins 0.0033 0.0084 0.0084

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 11.2202 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 (binding) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 18.526 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) 20.5962 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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