Detailed information for compound 1324859

Basic information

Technical information
  • TDR Targets ID: 1324859
  • Name: tert-butyl 4-[4-(2,3-dihydro-1,4-benzodioxin- 7-ylcarbamoyl)-2-phenylpyrazol-3-yl]piperidin e-1-carboxylate
  • MW: 504.577 | Formula: C28H32N4O5
  • H donors: 1 H acceptors: 3 LogP: 3.9 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N1CCC(CC1)c1c(cnn1c1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2)OC(C)(C)C
  • InChi: 1S/C28H32N4O5/c1-28(2,3)37-27(34)31-13-11-19(12-14-31)25-22(18-29-32(25)21-7-5-4-6-8-21)26(33)30-20-9-10-23-24(17-20)36-16-15-35-23/h4-10,17-19H,11-16H2,1-3H3,(H,30,33)
  • InChiKey: YEKKYDXWVOPRQK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • tert-butyl 4-[4-(2,3-dihydro-1,4-benzodioxin-7-ylcarbamoyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate
  • 4-[4-[(2,3-dihydro-1,4-benzodioxin-7-ylamino)-oxomethyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester
  • 4-[4-(2,3-dihydro-1,4-benzodioxin-7-ylcarbamoyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester
  • E955-1348
  • NCGC00127223-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative 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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans beta-lactamase 0.0043 0.0143 0.0138
Plasmodium vivax JmjC domain containing protein 0.0027 0.0055 0.0767
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0048 0.0169 0.2494
Echinococcus granulosus tar DNA binding protein 0.0068 0.0276 0.0484
Schistosoma mansoni DNA topoisomerase II 0.0042 0.0132 0.0228
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0027 0.0055 0.009
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0039 0.0119 0.0204
Brugia malayi Pre-SET motif family protein 0.0038 0.0111 0.0846
Schistosoma mansoni phosphatidylserine receptor 0.0027 0.0055 0.009
Schistosoma mansoni jumonji domain containing protein 0.0027 0.0055 0.009
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0143 0.0138
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.0184 1
Giardia lamblia DNA topoisomerase II 0.004 0.0122 1
Brugia malayi beta-lactamase family protein 0.0043 0.0143 0.1093
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0039 0.0119 0.0204
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0031 0.0078 0.0131
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0031 0.0078 0.0131
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0011 0.0012
Schistosoma mansoni hypothetical protein 0.0019 0.0011 0.0012
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0078 0.0131
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0276 0.0484
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.014 0.0662 0.9806
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0276 0.0484
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0038 0.0111 0.0191
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0144 0.0249
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0117 0.0537 0.0532
Brugia malayi jmjC domain containing protein 0.0027 0.0055 0.0399
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0144 0.0249
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0042 0.0132 0.0228
Onchocerca volvulus 0.0043 0.0143 0.0518
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0276 0.215
Echinococcus multilocularis JmjC domain containing protein 4 0.0027 0.0055 0.009
Loa Loa (eye worm) jmjC domain-containing protein 0.0027 0.0055 0.0375
Mycobacterium tuberculosis Conserved protein 0.0043 0.0143 0.0138
Mycobacterium tuberculosis Probable dehydrogenase 0.0117 0.0537 0.0532
Brugia malayi Probable ClpP-like protease 0.014 0.0662 0.5208
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.4379 0.7806
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0024 0.004 0.0064
Schistosoma mansoni cpg binding protein 0.0075 0.031 0.0544
Loa Loa (eye worm) hypothetical protein 0.0071 0.029 0.224
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0078 0.1095
Schistosoma mansoni aryl hydrocarbon receptor 0.0046 0.0154 0.0267
Onchocerca volvulus 0.0075 0.031 0.1727
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.0184 0.0321
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.014 0.0662 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0143 0.0138
Brugia malayi hypothetical protein 0.0153 0.0731 0.5757
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0276 0.0484
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0143 0.0138
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0143 0.0138
Loa Loa (eye worm) hypothetical protein 0.0038 0.0111 0.0823
Brugia malayi Thioredoxin reductase 0.0051 0.0184 0.1425
Loa Loa (eye worm) hypoxia-induced factor 1 0.0141 0.0667 0.524
Loa Loa (eye worm) TOPoisomerase family member 0.0042 0.0132 0.0989
Entamoeba histolytica DNA topoisomerase II, putative 0.0042 0.0132 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0011 0.0029
Brugia malayi beta-lactamase family protein 0.0043 0.0143 0.1093
Mycobacterium tuberculosis Conserved protein 0.0043 0.0143 0.0138
Schistosoma mansoni jumonji/arid domain-containing protein 0.0106 0.0478 0.0845
Trypanosoma brucei trypanothione reductase 0.0051 0.0184 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0143 0.107
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0117 0.0537 0.04
Loa Loa (eye worm) hypothetical protein 0.0028 0.0059 0.0406
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0037 0.011 0.5853
Onchocerca volvulus 0.0288 0.1452 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0143 0.107
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0143 0.0246
Mycobacterium ulcerans hypothetical protein 0.0043 0.0143 0.0138
Schistosoma mansoni hypothetical protein 0.0031 0.0078 0.0131
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.014 0.0662 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0042 0.0132 0.1012
Echinococcus multilocularis phd:f box containing protein 0.0027 0.0055 0.009
Loa Loa (eye worm) jmjC domain-containing protein 0.0027 0.0055 0.0375
Schistosoma mansoni single-minded 0.0046 0.0154 0.0267
Mycobacterium ulcerans isocitrate lyase Icl 0.1881 1 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0276 0.0484
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0038 0.0111 0.0191
Leishmania major hypothetical protein, conserved 0.0027 0.0055 0.2802
Schistosoma mansoni hypothetical protein 0.0041 0.013 0.0224
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0143 0.1093
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.014 0.0662 0.1172
Leishmania major trypanothione reductase 0.0051 0.0184 1
Brugia malayi jmjC domain containing protein 0.0167 0.0804 0.6336
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.0005 0.0032
Echinococcus granulosus lysine specific demethylase 5A 0.0106 0.0478 0.0845
Plasmodium falciparum JmjC domain-containing protein, putative 0.0027 0.0055 0.0767
Brugia malayi MH2 domain containing protein 0.0144 0.0683 0.5374
Brugia malayi Probable DNA topoisomerase II 0.0042 0.0132 0.1012
Loa Loa (eye worm) hypothetical protein 0.0043 0.0143 0.107
Trypanosoma cruzi DNA topoisomerase II, putative 0.0037 0.011 0.5853
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0037 0.011 0.5853
Loa Loa (eye worm) hypothetical protein 0.0153 0.0731 0.5746
Echinococcus multilocularis GPCR, family 2 0.0019 0.0011 0.0012
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.0184 0.2736
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.0184 0.0321
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0092 0.0402 0.0398
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.014 0.0662 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0143 0.7671
Echinococcus granulosus mixed lineage leukemia protein mll 0.002 0.0016 0.002
Brugia malayi PAS domain containing protein 0.0046 0.0154 0.1186
Brugia malayi jmjC domain containing protein 0.0106 0.0478 0.3756
Loa Loa (eye worm) hypothetical protein 0.0043 0.0143 0.107
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.4379 0.7806
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0143 0.0138
Mycobacterium ulcerans isocitrate lyase AceAb 0.1881 1 1
Plasmodium falciparum phd finger protein, putative 0.0031 0.0078 0.1117
Echinococcus multilocularis dnaJ subfamily B 0.1063 0.5609 1
Echinococcus granulosus peregrin 0.0031 0.0078 0.0131
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0143 0.0138
Echinococcus granulosus jumonji domain containing 1A 0.0027 0.0055 0.009
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0078 0.0131
Loa Loa (eye worm) hypothetical protein 0.0027 0.0055 0.0375
Echinococcus granulosus peptidase Clp S14 family 0.0092 0.0402 0.071
Mycobacterium ulcerans putative regulatory protein 0.0034 0.0091 0.0086
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0038 0.0111 0.0191
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0143 0.7671
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0096 0.0162
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0276 0.213
Onchocerca volvulus 0.0043 0.0143 0.0518
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0117 0.0537 0.0532
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0117 0.0537 0.0532
Schistosoma mansoni protein phosphatase 2C 0.0027 0.0055 0.009
Toxoplasma gondii ABC1 family protein 0.0043 0.0143 0.2058
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0143 0.0981
Brugia malayi hypoxia-induced factor 1 0.0141 0.0667 0.5252
Loa Loa (eye worm) hypothetical protein 0.014 0.0662 0.5196
Echinococcus granulosus phd:f box containing protein 0.0027 0.0055 0.009
Schistosoma mansoni hypothetical protein 0.0019 0.0011 0.0012
Schistosoma mansoni hypothetical protein 0.0019 0.0011 0.0012
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0683 0.5362
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0683 0.5362
Echinococcus multilocularis lysine specific demethylase 6a 0.0027 0.0055 0.009
Echinococcus granulosus JmjC domain containing protein 4 0.0027 0.0055 0.009
Schistosoma mansoni cpg binding protein 0.0079 0.0332 0.0585
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0143 0.107
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0143 0.2099
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0092 0.0402 0.0398
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0276 0.0484
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0143 0.0138
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0253 0.1266 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0037 0.011 0.5853
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0027 0.0055 0.0752
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0143 0.0981
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0143 0.0138
Plasmodium falciparum glutathione reductase 0.0051 0.0184 0.2736
Loa Loa (eye worm) jmjC domain-containing protein 0.0106 0.0478 0.374
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0011 0.0012
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0143 0.7671
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0167 0.0804 0.1426
Loa Loa (eye worm) glutathione reductase 0.0051 0.0184 0.1403
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0048 0.0169 0.0026
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0117 0.0537 0.0532
Mycobacterium tuberculosis Probable reductase 0.0117 0.0537 0.0532
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0039 0.0119 0.0204
Schistosoma mansoni phd/f-box containing protein 0.0027 0.0055 0.009
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0143 0.0981
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1399 0.1395
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.014 0.0662 1
Brugia malayi jmjC domain containing protein 0.0027 0.0055 0.0399
Brugia malayi glutathione reductase 0.0051 0.0184 0.1425
Schistosoma mansoni hypothetical protein 0.1063 0.5609 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0078 0.1095
Loa Loa (eye worm) hypothetical protein 0.006 0.0232 0.1783
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.0005 0.0032
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0078 0.1117
Trichomonas vaginalis set domain proteins, putative 0.0288 0.1452 1
Onchocerca volvulus Alhambra homolog 0.0031 0.0078 0.0051
Loa Loa (eye worm) hypothetical protein 0.0041 0.013 0.0971
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0042 0.0132 0.1012
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0011 0.0012
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0011 0.0054
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0027 0.0055 0.2802
Chlamydia trachomatis DNA gyrase subunit B 0.0023 0.003 0.0391
Echinococcus multilocularis cpg binding protein 0.0079 0.0332 0.0585
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0039 0.0119 0.0884
Onchocerca volvulus 0.0038 0.0111 0.0293
Loa Loa (eye worm) CXXC zinc finger family protein 0.0075 0.031 0.2397
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.1881 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.013 0.0607 0.0602
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.0184 0.018
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0038 0.0111 0.0191
Echinococcus multilocularis peptidase Clp (S14 family) 0.0092 0.0402 0.071
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0048 0.0169 0.2494
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0258 0.1985
Loa Loa (eye worm) RNA binding protein 0.0068 0.0276 0.213
Leishmania major hypothetical protein, conserved 0.0043 0.0143 0.7671
Mycobacterium tuberculosis Conserved protein 0.0043 0.0143 0.0138
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0092 0.0402 0.0264
Trypanosoma brucei DNA topoisomerase ii 0.0033 0.0085 0.4451
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.014 0.0662 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.4379 0.7806
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.014 0.0662 0.0657
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.014 0.0662 0.1172
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0016 0.002
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.013 0.0607 0.0471
Loa Loa (eye worm) jmjC domain-containing protein 0.0027 0.0055 0.0375
Loa Loa (eye worm) hypothetical protein 0.0031 0.0078 0.0557
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.1881 1 1
Leishmania major DNA topoisomerase ii 0.0037 0.011 0.5853
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.014 0.0662 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0016 0.002
Schistosoma mansoni jumonji/arid domain-containing protein 0.0106 0.0478 0.0845
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0011 0.0029
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0024 0.004 0.0064
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0232 0.1804
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0038 0.0111 0.0191
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0033 0.0085 0.4451
Brugia malayi TAR-binding protein 0.0068 0.0276 0.215
Echinococcus granulosus GPCR family 2 0.0019 0.0011 0.0012
Brugia malayi PHD-finger family protein 0.0031 0.0078 0.0582
Loa Loa (eye worm) hypothetical protein 0.0027 0.0055 0.0375
Brugia malayi jmjC domain containing protein 0.0027 0.0055 0.0399
Brugia malayi RNA binding protein 0.0068 0.0276 0.215
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0033 0.0085 0.4451
Echinococcus granulosus dnaJ subfamily B 0.1063 0.5609 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.014 0.0662 0.9806
Onchocerca volvulus 0.0043 0.0143 0.0518
Toxoplasma gondii histone lysine methyltransferase SET1 0.0143 0.0675 1
Brugia malayi bHLH-PAS transcription factor 0.0034 0.0091 0.0681
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0143 0.0981
Schistosoma mansoni hypothetical protein 0.0019 0.0011 0.0012
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.0184 0.1403
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0038 0.0111 0.0191
Schistosoma mansoni mixed-lineage leukemia protein mll 0.003 0.0071 0.0118
Echinococcus granulosus histone lysine methyltransferase setb 0.0038 0.0111 0.0191
Loa Loa (eye worm) histone methyltransferase 0.0024 0.004 0.0257
Echinococcus granulosus lysine specific demethylase 6a 0.0027 0.0055 0.009
Loa Loa (eye worm) hypothetical protein 0.0043 0.0143 0.107
Schistosoma mansoni jumonji domain containing protein 0.0146 0.069 0.1224
Toxoplasma gondii thioredoxin reductase 0.0051 0.0184 0.2683
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0027 0.0055 0.2802
Echinococcus multilocularis mixed lineage leukemia protein mll 0.002 0.0016 0.002
Toxoplasma gondii hypothetical protein 0.0048 0.0169 0.2446
Plasmodium vivax SET domain protein, putative 0.0038 0.0111 0.1625
Brugia malayi jmjC domain containing protein 0.0027 0.0055 0.0399
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0078 0.0131
Loa Loa (eye worm) beta-lactamase 0.0043 0.0143 0.107
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0143 0.0246
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0078 0.0557
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0143 0.0138
Mycobacterium ulcerans lipase LipD 0.0043 0.0143 0.0138
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0039 0.0119 0.0204
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0039 0.0119 0.0204
Brugia malayi CXXC zinc finger family protein 0.0075 0.031 0.2417
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.1881 1 1
Leishmania major mitochondrial DNA topoisomerase II 0.0033 0.0085 0.4451
Brugia malayi beta-lactamase 0.0043 0.0143 0.1093
Mycobacterium tuberculosis Probable oxidoreductase 0.013 0.0607 0.0602
Echinococcus granulosus single minded 2 0.0034 0.0091 0.0153
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.013 0.0607 0.0602
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0011 0.0012
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0039 0.0119 0.0907
Schistosoma mansoni peptidase Clp (S14 family) 0.014 0.0662 0.1172
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0011 0.0054
Brugia malayi F/Y-rich N-terminus family protein 0.0034 0.0094 0.0707
Echinococcus multilocularis peregrin 0.0031 0.0078 0.0131
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0039 0.0119 0.0204
Trichomonas vaginalis esterase, putative 0.0043 0.0143 0.0981
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.013 0.0994
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0143 0.0981
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.014 0.0662 0.0527
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0167 0.0804 0.1426
Plasmodium vivax glutathione reductase, putative 0.0051 0.0184 0.2736
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0276 0.213
Brugia malayi Pre-SET motif family protein 0.0253 0.1266 1
Mycobacterium leprae Isocitrate lyase 0.0882 0.4639 0.4562
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0232 0.1783
Trichomonas vaginalis DNA topoisomerase II, putative 0.0042 0.0132 0.0911
Plasmodium falciparum thioredoxin reductase 0.0051 0.0184 0.2736
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0038 0.0111 0.1594
Plasmodium vivax DNA topoisomerase II, putative 0.0042 0.0132 0.1943
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0276 0.0484
Schistosoma mansoni cpg binding protein 0.0079 0.0332 0.0585
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0027 0.0055 0.2802
Loa Loa (eye worm) hypothetical protein 0.0043 0.0143 0.107
Echinococcus granulosus cpg binding protein 0.0079 0.0332 0.0585
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.014 0.0662 0.0657
Onchocerca volvulus 0.0034 0.0091 0.0142
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0039 0.0119 0.0204
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0027 0.0055 0.0752
Schistosoma mansoni mixed-lineage leukemia protein mll 0.016 0.0765 0.1357
Toxoplasma gondii DNA topoisomerase 2, putative 0.0042 0.0132 0.1905
Echinococcus multilocularis lysine specific demethylase 5A 0.0102 0.0456 0.0805
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0143 0.0246
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0232 0.1804
Echinococcus multilocularis transfer RNA-Lys 0.0034 0.0091 0.0153
Echinococcus multilocularis jumonji domain containing 1A 0.0027 0.0055 0.009
Brugia malayi Bromodomain containing protein 0.0031 0.0078 0.0582
Plasmodium falciparum DNA topoisomerase 2 0.0042 0.0132 0.1943
Loa Loa (eye worm) hypothetical protein 0.0028 0.0059 0.0406
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0143 0.0246
Giardia lamblia PHD finger protein 15 0.0031 0.0078 0.6228
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0042 0.0132 0.0228
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0048 0.0169 0.2494

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1122 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) = 6.3096 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) 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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