Detailed information for compound 1437874

Basic information

Technical information
  • TDR Targets ID: 1437874
  • Name: 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]- N-[(2-methylphenyl)methyl]acetamide
  • MW: 357.49 | Formula: C21H31N3O2
  • H donors: 2 H acceptors: 2 LogP: 2.89 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC1N(CCNC1=O)CC1CCCCC1)NCc1ccccc1C
  • InChi: 1S/C21H31N3O2/c1-16-7-5-6-10-18(16)14-23-20(25)13-19-21(26)22-11-12-24(19)15-17-8-3-2-4-9-17/h5-7,10,17,19H,2-4,8-9,11-15H2,1H3,(H,22,26)(H,23,25)
  • InChiKey: LEGCGXUCIWYAKI-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[1-(cyclohexylmethyl)-3-oxo-piperazin-2-yl]-N-[(2-methylphenyl)methyl]acetamide
  • 2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-[(2-methylphenyl)methyl]acetamide
  • 2-[1-(cyclohexylmethyl)-3-keto-piperazin-2-yl]-N-(2-methylbenzyl)acetamide
  • 2-[1-(cyclohexylmethyl)-3-oxo-piperazin-2-yl]-N-[(2-methylphenyl)methyl]ethanamide
  • MLS000733613
  • SMR000318006
  • 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(2-methylbenzyl)acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638

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 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.01 0.141 0.1074
Echinococcus granulosus proteasome subunit beta type 7 0.01 0.141 0.1364
Plasmodium falciparum proteasome subunit beta type-6, putative 0.01 0.141 0.1074
Toxoplasma gondii 20S proteasome subunit beta 7, putative 0.01 0.141 0.1074
Echinococcus multilocularis proteasome subunit alpha type 6 0.01 0.141 0.1364
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.01 0.141 0.1337
Toxoplasma gondii proteasome subunit alpha type 5-2, putative 0.01 0.141 0.1074
Plasmodium vivax proteasome subunit beta type-6, putative 0.01 0.141 0.1074
Echinococcus multilocularis proteasome subunit alpha type 2 0.01 0.141 0.1364
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.01 0.141 0.1374
Loa Loa (eye worm) proteasome subunit beta type 1 0.015 0.2151 0.2083
Plasmodium vivax proteasome subunit beta type-2, putative 0.0306 0.4456 0.4239
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.01 0.141 0.1374
Trypanosoma brucei proteasome alpha 7 subunit 0.01 0.141 0.1074
Entamoeba histolytica proteasome subunit beta type 1, putative 0.015 0.2151 0.0862
Echinococcus granulosus proteasome prosome macropain subunit beta 0.015 0.2151 0.2108
Plasmodium falciparum proteasome subunit alpha type-1, putative 0.01 0.141 0.1074
Plasmodium falciparum proteasome subunit beta type-5 0.0681 1 1
Plasmodium vivax proteasome subunit beta type-1, putative 0.015 0.2151 0.1844
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.01 0.141 0.1337
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.01 0.141 0.1374
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0681 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0085 0.0031
Echinococcus multilocularis proteasome (prosome macropain) subunit beta type 0.01 0.141 0.1364
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0681 1 1
Trypanosoma cruzi proteasome alpha 2 subunit, putative 0.01 0.141 0.1074
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.01 0.141 0.141
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.01 0.141 0.5
Trypanosoma cruzi proteasome alpha 2 subunit, putative 0.01 0.141 0.1074
Plasmodium vivax proteasome subunit alpha type-4, putative 0.01 0.141 0.1074
Brugia malayi Proteasome A-type and B-type family protein 0.01 0.141 0.1338
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0681 1 1
Echinococcus multilocularis proteasome subunit beta type 7 0.01 0.141 0.1364
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.01 0.141 0.1074
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.01 0.141 0.1074
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.01 0.141 0.1374
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.01 0.141 0.1074
Brugia malayi proteasome subunit beta type 2 0.0306 0.4456 0.441
Trypanosoma brucei Proteasome subunit A N-terminal signature/Proteasome subunit, putative 0.01 0.141 0.1074
Loa Loa (eye worm) PAS-3 protein 0.01 0.141 0.1337
Schistosoma mansoni cpg binding protein 0.0035 0.0439 0.0439
Brugia malayi hypothetical protein 0.003 0.0377 0.0296
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0681 1 1
Toxoplasma gondii proteasome subunit alpha type, putative 0.01 0.141 0.1074
Trypanosoma cruzi proteasome alpha 1 subunit, putative 0.01 0.141 0.1074
Echinococcus granulosus proteasome prosome macropain 0.0681 1 1
Echinococcus multilocularis proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta 0.01 0.141 0.1364
Leishmania major proteasome alpha 2 subunit, putative 0.01 0.141 0.1074
Plasmodium falciparum proteasome subunit alpha type-6, putative 0.01 0.141 0.1074
Brugia malayi proteasome subunit beta type 3 0.01 0.141 0.1338
Schistosoma mansoni hypothetical protein 0.0014 0.0128 0.0128
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.01 0.141 0.141
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0681 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.0469 0.0469
Plasmodium vivax proteasome subunit beta type-3, putative 0.01 0.141 0.1074
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.01 0.141 0.1374
Echinococcus multilocularis proteasome (prosome, macropain) 0.0681 1 1
Leishmania major proteasome alpha 7 subunit, putative 0.01 0.141 0.1074
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.01 0.141 0.1374
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0306 0.4456 0.4456
Plasmodium vivax proteasome subunit alpha type-6, putative 0.01 0.141 0.1074
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1011 0.1011
Leishmania major proteasome alpha 7 subunit, putative 0.01 0.141 0.1074
Trypanosoma cruzi proteasome beta 3 subunit, putative 0.01 0.141 0.1074
Mycobacterium ulcerans proteasome PrcA 0.01 0.141 0.0445
Loa Loa (eye worm) proteasome subunit alpha type 3 0.01 0.141 0.1337
Toxoplasma gondii proteasome subunit alpha1, putative 0.01 0.141 0.1074
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0306 0.4456 0.4456
Echinococcus multilocularis cpg binding protein 0.0037 0.0469 0.0417
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.01 0.141 0.1374
Plasmodium vivax proteasome subunit alpha type-1, putative 0.01 0.141 0.1074
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0128 0.0075
Plasmodium vivax proteasome subunit alpha type-7, putative 0.01 0.141 0.1074
Brugia malayi Proteasome A-type and B-type family protein 0.01 0.141 0.1338
Schistosoma mansoni proteasome subunit alpha 4 (T01 family) 0.01 0.141 0.141
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.015 0.2151 0.2151
Trypanosoma brucei proteasome alpha 1 subunit, putative 0.01 0.141 0.1074
Brugia malayi proteasome subunit alpha type 1 0.01 0.141 0.1338
Giardia lamblia Proteasome subunit beta type 1 0.015 0.2151 0.0862
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0306 0.4456 0.3546
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.01 0.141 0.141
Brugia malayi proteasome subunit alpha type 4 0.01 0.141 0.1338
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0898 0.0542
Schistosoma mansoni proteasome subunit beta 4 (T01 family) 0.01 0.141 0.141
Leishmania major proteasome alpha 1 subunit, putative 0.01 0.141 0.1074
Toxoplasma gondii proteasome subunit 0.01 0.141 0.1074
Trypanosoma brucei proteasome subunit alpha type-5, putative 0.01 0.141 0.1074
Echinococcus multilocularis 20S proteasome subunit alpha 6 0.01 0.141 0.1364
Loa Loa (eye worm) proteasome subunit alpha type 6 0.01 0.141 0.1337
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0681 1 1
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.01 0.141 0.1074
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.01 0.141 0.1374
Leishmania major proteasome beta 2 subunit, putative 0.01 0.141 0.1074
Schistosoma mansoni proteasome subunit alpha 2 (T01 family) 0.01 0.141 0.141
Leishmania major proteasome alpha 5 subunit, putative,20S proteasome subunit alpha 5, (putative) 0.01 0.141 0.1074
Brugia malayi hypothetical protein 0.002 0.0217 0.0135
Echinococcus multilocularis Proteasome, subunit alpha beta 0.01 0.141 0.1364
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0306 0.4456 0.4426
Echinococcus granulosus proteasome subunit beta t family 0.01 0.141 0.1364
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.7231 0.7216
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.01 0.141 0.1374
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.015 0.2151 0.1844
Trypanosoma cruzi proteasome beta-1 subunit, putative 0.01 0.141 0.1074
Leishmania major proteasome beta-1 subunit, putative 0.01 0.141 0.1074
Toxoplasma gondii heat shock protein hslv, putative 0.01 0.141 0.1074
Mycobacterium ulcerans proteasome PrcB 0.0681 1 1
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.01 0.141 0.1074
Leishmania major proteasome beta 3 subunit, putative 0.01 0.141 0.1074
Leishmania major proteasome beta 2 subunit, putative 0.0306 0.4456 0.4239
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1011 0.0659
Trypanosoma brucei proteasome beta 3 subunit, putative 0.01 0.141 0.1074
Brugia malayi 20S proteasome alpha5 subunit 0.01 0.141 0.1338
Schistosoma mansoni proteasome subunit alpha 7 (T01 family) 0.01 0.141 0.141
Echinococcus multilocularis subfamily T1A non peptidase ue 0.01 0.141 0.1364
Trypanosoma brucei proteasome beta 7 subunit 0.01 0.141 0.1074
Plasmodium vivax proteasome subunit alpha type-2, putative 0.01 0.141 0.1074
Loa Loa (eye worm) proteasome subunit alpha type 2 0.01 0.141 0.1337
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0306 0.4456 0.4239
Trypanosoma cruzi proteasome alpha 3 subunit, putative 0.01 0.141 0.1074
Loa Loa (eye worm) hypothetical protein 0.003 0.0377 0.0294
Trypanosoma cruzi 20S proteasome subunit 0.0306 0.4456 0.4239
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.01 0.141 0.1074
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0439 0.0357
Loa Loa (eye worm) proteasome subunit beta type 3 0.01 0.141 0.1337
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.01 0.141 0.141
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0128 0.0075
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.015 0.2151 0.1844
Trypanosoma brucei proteasome beta 6 subunit 0.015 0.2151 0.1844
Plasmodium vivax proteasome subunit beta type-5, putative 0.0681 1 1
Plasmodium vivax proteasome subunit beta type-7, putative 0.01 0.141 0.1074
Trypanosoma brucei proteasome alpha 3 subunit, putative 0.01 0.141 0.1074
Brugia malayi Proteasome A-type and B-type family protein 0.01 0.141 0.1338
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0085 0.0031
Leishmania major proteasome beta 5 subunit, putative 0.0681 1 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.01 0.141 0.1337
Trypanosoma cruzi proteasome beta 2 subunit, putative 0.01 0.141 0.1074
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.01 0.141 0.1374
Plasmodium falciparum proteasome subunit beta type-7, putative 0.01 0.141 0.1074
Trypanosoma cruzi proteasome subunit alpha type-5, putative 0.01 0.141 0.1074
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0054 0.0054
Brugia malayi proteasome subunit beta type 1 0.015 0.2151 0.2085
Toxoplasma gondii proteasome subunit beta type 1, putative 0.015 0.2151 0.1844
Echinococcus granulosus Proteasome subunit alpha beta 0.01 0.141 0.1364
Loa Loa (eye worm) proteasome subunit alpha type 7-1 0.01 0.141 0.1337
Echinococcus multilocularis proteasome (prosome macropain) subunit alpha 0.01 0.141 0.1364
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0306 0.4456 0.4239
Echinococcus multilocularis Proteasome subunit alpha type 7 0.01 0.141 0.1364
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0681 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1011 0.0962
Giardia lamblia Proteasome subunit beta type 2 0.0306 0.4456 0.3546
Echinococcus granulosus proteasome subunit alpha type 2 0.01 0.141 0.1364
Schistosoma mansoni proteasome subunit alpha 3 (T01 family) 0.01 0.141 0.141
Toxoplasma gondii peptidase, T1 family protein 0.01 0.141 0.1074
Plasmodium falciparum proteasome subunit alpha type-4, putative 0.01 0.141 0.1074
Plasmodium vivax proteasome subunit alpha type-5, putative 0.01 0.141 0.1074
Schistosoma mansoni hypothetical protein 0.0494 0.7231 0.7231
Leishmania major proteasome beta 7 subunit, putative 0.01 0.141 0.1074
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0306 0.4456 0.4432
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.01 0.141 0.141
Trypanosoma brucei proteasome beta 2 subunit, putative 0.01 0.141 0.1074
Trypanosoma cruzi proteasome alpha 3 subunit, putative 0.01 0.141 0.1074
Trypanosoma brucei proteasome beta-1 subunit, putative 0.01 0.141 0.1074
Plasmodium falciparum proteasome subunit alpha type-3, putative 0.01 0.141 0.1074
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0306 0.4456 0.4239
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0681 1 1
Brugia malayi Proteasome subunit alpha type 7-1 0.01 0.141 0.1338
Echinococcus granulosus dnaJ subfamily B 0.0494 0.7231 0.7216
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.01 0.141 0.1074
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0306 0.4456 0.4426
Echinococcus granulosus geminin 0.0205 0.2953 0.2914
Toxoplasma gondii proteasome beta subunit 0.01 0.141 0.1074
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.01 0.141 0.141
Plasmodium falciparum proteasome subunit beta type-4 0.01 0.141 0.1074
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.015 0.2151 0.2117
Trypanosoma brucei proteasome alpha 7 subunit, putative 0.01 0.141 0.1074
Trypanosoma cruzi proteasome beta 3 subunit, putative 0.01 0.141 0.1074
Plasmodium falciparum proteasome subunit beta type-3, putative 0.01 0.141 0.1074
Plasmodium falciparum proteasome subunit beta type-1, putative 0.015 0.2151 0.1844
Plasmodium vivax proteasome subunit alpha type-3, putative 0.01 0.141 0.1074
Leishmania major hs1vu complex proteolytic subunit-like,hs1vu complex proteolytic subunit-like, threonine peptidase, Clan T(1), family T1B 0.01 0.141 0.1074
Plasmodium falciparum proteasome subunit alpha type-7, putative 0.01 0.141 0.1074
Trypanosoma cruzi ATP-dependent protease subunit HslV, putative 0.01 0.141 0.1074
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1011 0.0659
Echinococcus multilocularis geminin 0.0205 0.2953 0.2914
Echinococcus multilocularis proteasome subunit beta type 6 0.01 0.141 0.1364
Plasmodium falciparum proteasome subunit alpha type-2, putative 0.01 0.141 0.1074
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.01 0.141 0.141
Schistosoma mansoni hypothetical protein 0.0205 0.2953 0.2953
Toxoplasma gondii proteasome subunit alpha2, protease of the acylase family and NTN hydrolase fold, putative 0.01 0.141 0.1074
Trypanosoma cruzi proteasome beta 7 subunit, putative 0.01 0.141 0.1074
Loa Loa (eye worm) 20S proteasome alpha5 subunit 0.01 0.141 0.1337
Brugia malayi proteasome subunit alpha type 3 0.01 0.141 0.1338
Echinococcus granulosus proteasome subunit alpha type 6 0.01 0.141 0.1364
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.01 0.141 0.1374
Trypanosoma brucei proteasome alpha 2 subunit, putative 0.01 0.141 0.1074
Toxoplasma gondii proteasome subunit beta type 7 precursor, putative 0.01 0.141 0.1074
Plasmodium vivax ATP-dependent protease subunit ClpQ, putative 0.01 0.141 0.1074
Trypanosoma cruzi hslVU complex proteolytic subunit, threonine peptidase, Clan T(1), family T1B 0.01 0.141 0.1074
Schistosoma mansoni proteasome catalytic subunit 1 (T01 family) 0.01 0.141 0.141
Loa Loa (eye worm) proteasome subunit alpha type 1 0.01 0.141 0.1337
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.01 0.141 0.141
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.01 0.141 0.1374
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1014 0.1014
Trypanosoma cruzi proteasome subunit alpha type-5, putative 0.01 0.141 0.1074
Trypanosoma cruzi proteasome beta-1 subunit, putative 0.01 0.141 0.1074
Toxoplasma gondii proteasome subunit alpha type 1, putative 0.01 0.141 0.1074
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.015 0.2151 0.1844
Echinococcus granulosus Proteasome subunit alpha type 7 0.01 0.141 0.1364
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1011 0.0962
Plasmodium vivax proteasome subunit beta type-4, putative 0.01 0.141 0.1074
Brugia malayi proteasome subunit alpha type 2 0.01 0.141 0.1338
Brugia malayi proteasome subunit alpha type 6 0.01 0.141 0.1338
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.01 0.141 0.0445
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.01 0.141 0.1074
Echinococcus granulosus cpg binding protein 0.0037 0.0469 0.0417
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.015 0.2151 0.2108
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.01 0.141 0.141
Leishmania major proteasome alpha 3 subunit, putative 0.01 0.141 0.1074
Echinococcus multilocularis Proteasome subunit alpha type 7 0.01 0.141 0.1364
Toxoplasma gondii proteasome subunit beta type, putative 0.0681 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.0469 0.0469
Trypanosoma cruzi proteasome alpha 1 subunit, putative 0.01 0.141 0.1074
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0681 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1011 0.1011
Trypanosoma brucei ATP-dependent protease subunit HslV 0.01 0.141 0.1074
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0306 0.4456 0.4239
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0681 1 1
Trypanosoma cruzi proteasome subunit alpha type-1, putative 0.01 0.141 0.1074
Echinococcus granulosus proteasome prosome macropain subunit alpha 0.01 0.141 0.1364
Echinococcus granulosus 20S proteasome subunit alpha 6 0.01 0.141 0.1364
Brugia malayi Proteasome subunit alpha type 1 0.01 0.141 0.1338
Schistosoma mansoni hypothetical protein 0.0205 0.2953 0.2953
Plasmodium falciparum ATP-dependent protease subunit ClpQ 0.01 0.141 0.1074
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0306 0.4456 0.4432
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.01 0.141 0.1074
Loa Loa (eye worm) proteasome subunit beta type 2 0.0306 0.4456 0.4408
Plasmodium falciparum proteasome subunit alpha type-5, putative 0.01 0.141 0.1074
Leishmania major proteasome alpha 1 subunit, putative 0.01 0.141 0.1074
Echinococcus granulosus subfamily T1A non peptidase ue 0.01 0.141 0.1364
Onchocerca volvulus Notchless protein homolog 0.01 0.141 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0439 0.0359
Echinococcus multilocularis Proteasome subunit alpha type 7 0.01 0.141 0.1364
Echinococcus granulosus proteasome prosome macropain subunit beta type 0.01 0.141 0.1364
Echinococcus granulosus proteasome subunit beta type 6 0.01 0.141 0.1364

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.6511 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) 4.6109 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 ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 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) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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