Detailed information for compound 512814

Basic information

Technical information
  • TDR Targets ID: 512814
  • Name: 5-tert-butyl-N-[1-[(4-chlorophenyl)methyl]pyr azol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole -3-carboxamide
  • MW: 412.913 | Formula: C22H25ClN4O2
  • H donors: 1 H acceptors: 3 LogP: 4.74 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)Cn1ncc(c1)NC(=O)c1noc2c1CC(CC2)C(C)(C)C
  • InChi: 1S/C22H25ClN4O2/c1-22(2,3)15-6-9-19-18(10-15)20(26-29-19)21(28)25-17-11-24-27(13-17)12-14-4-7-16(23)8-5-14/h4-5,7-8,11,13,15H,6,9-10,12H2,1-3H3,(H,25,28)
  • InChiKey: IADSDBJTSWKJGC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-tert-butyl-N-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
  • 5-tert-butyl-N-[1-(4-chlorobenzyl)pyrazol-4-yl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans pantoate--beta-alanine ligase Get druggable targets OG5_129569 All targets in OG5_129569
Toxoplasma gondii pantoate-beta-alanine ligase Get druggable targets OG5_129569 All targets in OG5_129569
Neospora caninum pantoate--beta-alanine ligase, putative Get druggable targets OG5_129569 All targets in OG5_129569
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) Get druggable targets OG5_129569 All targets in OG5_129569
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) Get druggable targets OG5_129569 All targets in OG5_129569
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0011 0.0027 0.0000028123
Brugia malayi Trypsin family protein 0.0021 0.0124 0.0421
Loa Loa (eye worm) TK/ROR protein kinase 0.0018 0.0094 0.0298
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.087 0.7919 1
Trypanosoma brucei unspecified product 0.0014 0.0061 0.0207
Schistosoma mansoni topbp1 0.0011 0.0027 0.0067
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0284 0.1041
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1044 0.9514 1
Entamoeba histolytica carbonic anhydrase, putative 0.0053 0.0415 0.399
Brugia malayi 6-phosphofructokinase 0.0117 0.1001 0.3833
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0163 0.0073
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0284 0.0258
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.1001 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0163 0.0137
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0284 0.0201
Echinococcus granulosus dna polymerase eta 0.0021 0.012 0.0303
Loa Loa (eye worm) hypothetical protein 0.0039 0.0284 0.1041
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0193
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0035 0.025 0.1354
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0061 0.0207
Brugia malayi DKFZp564C0469 protein 0.0011 0.0027 0.0041
Schistosoma mansoni carbonic anhydrase 0.0053 0.0415 0.1049
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0107 0.0915 0.231
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0163 0.0208
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0017 0.0044
Echinococcus multilocularis Niemann Pick C1 protein 0.0151 0.1316 0.1662
Loa Loa (eye worm) hypothetical protein 0.016 0.1401 0.5391
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0284 0.0718
Chlamydia trachomatis sulfate transporter 0.0035 0.025 1
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0284 0.0201
Brugia malayi CXXC zinc finger family protein 0.0031 0.0213 0.0765
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0061 0.0207
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0193
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.012 0.0093
Echinococcus granulosus Mastin 0.0021 0.0124 0.0314
Loa Loa (eye worm) beta-lactamase 0.0039 0.0284 0.1041
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0284 0.1561
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.012 0.0151
Echinococcus granulosus Niemann Pick C1 protein 0.0151 0.1316 0.3323
Loa Loa (eye worm) hypothetical protein 0.0056 0.044 0.1645
Echinococcus multilocularis dna polymerase eta 0.0021 0.012 0.0151
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.012 0.0564
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.019 0.1678 1
Toxoplasma gondii ABC1 family protein 0.0039 0.0284 0.0393
Loa Loa (eye worm) hypothetical protein 0.0019 0.0104 0.0339
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0021 0.0124 0.0314
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.012 0.0564
Mycobacterium tuberculosis Conserved protein 0.0039 0.0284 0.0201
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0163 0.0439
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.012 0.0564
Schistosoma mansoni cercarial elastase (S01 family) 0.0021 0.0124 0.0314
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.012 0.0027
Schistosoma mansoni hypothetical protein 0.0044 0.0331 0.0836
Echinococcus multilocularis tissue type plasminogen activator 0.0018 0.0094 0.0118
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0284 0.1561
Trichomonas vaginalis esterase, putative 0.0039 0.0284 0.0258
Onchocerca volvulus 0.0039 0.0284 0.1008
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0284 0.0258
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0035 0.025 0.1354
Echinococcus multilocularis Mastin 0.0021 0.0124 0.0157
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.012 0.0093
Echinococcus multilocularis dnaJ subfamily B 0.0439 0.396 0.5
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0346 0.0437
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.012 0.0564
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0021 0.0124 0.0314
Loa Loa (eye worm) hypothetical protein 0.0011 0.0027 0.0037
Schistosoma mansoni hypothetical protein 0.0089 0.0751 0.1897
Brugia malayi hypothetical protein 0.0011 0.0027 0.0041
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0021 0.0124 0.0314
Onchocerca volvulus 0.0031 0.0213 0.0727
Loa Loa (eye worm) phosphofructokinase 0.0117 0.1001 0.383
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.012 0.0564
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.012 0.0564
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.053 0.1338
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0284 0.0201
Loa Loa (eye worm) hypothetical protein 0.0089 0.0751 0.2858
Mycobacterium ulcerans hypothetical protein 0.0021 0.0124 0.0098
Echinococcus granulosus Niemann Pick C1 protein 0.0106 0.09 0.2272
Trichomonas vaginalis conserved hypothetical protein 0.1097 1 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0021 0.0124 0.0314
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.019 0.1678 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.012 0.0564
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0035 0.025 0.0224
Schistosoma mansoni cercarial elastase (S01 family) 0.0021 0.0124 0.0314
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0032 0.0219 0.2655
Trichomonas vaginalis replication factor C large subunit, putative 0.0011 0.0027 0.00000027463
Schistosoma mansoni topbp1 0.0011 0.0027 0.0067
Onchocerca volvulus 0.0039 0.0284 0.1008
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.1001 0.0977
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0284 0.0258
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.012 0.0564
Brugia malayi beta-lactamase family protein 0.0039 0.0284 0.1045
Onchocerca volvulus 0.0021 0.0124 0.0381
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0104 0.3468
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0017 0.0022
Entamoeba histolytica hypothetical protein 0.0039 0.0284 0.2644
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.019 0.1678 0.647
Schistosoma mansoni cercarial elastase (S01 family) 0.0021 0.0124 0.0314
Loa Loa (eye worm) hypothetical protein 0.0018 0.0094 0.0298
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0193
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0117 0.1001 0.0962
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0284 0.0718
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0289 0.2585 0.6528
Schistosoma mansoni hypothetical protein 0.0039 0.0284 0.0718
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0061 0.0207
Mycobacterium ulcerans 6-phosphofructokinase 0.0117 0.1001 0.0977
Echinococcus multilocularis replication factor c subunit 1 0.0011 0.0027 0.0034
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0346 0.128
Loa Loa (eye worm) trypsin family protein 0.0021 0.0124 0.0416
Onchocerca volvulus 0.0039 0.0284 0.1008
Loa Loa (eye worm) hypothetical protein 0.0011 0.0027 0.0037
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.1001 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0163 0.0137
Brugia malayi hypothetical protein 0.0011 0.0027 0.0041
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0035 0.025 0.3086
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0163 0.0137
Leishmania major carbonic anhydrase family protein, putative 0.0053 0.0415 0.203
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0035 0.025 0.0341
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.012 0.0165
Brugia malayi Trypsin-like protease protein 5 0.0021 0.0124 0.0421
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0284 0.0258
Loa Loa (eye worm) hypothetical protein 0.0021 0.0124 0.0416
Loa Loa (eye worm) hypothetical protein 0.0011 0.0027 0.0037
Brugia malayi beta-lactamase family protein 0.0039 0.0284 0.1045
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0284 0.0201
Mycobacterium leprae Probable lipase LipE 0.0039 0.0284 0.0393
Echinococcus multilocularis dna polymerase kappa 0.0021 0.012 0.0151
Loa Loa (eye worm) hypothetical protein 0.016 0.1401 0.5391
Schistosoma mansoni cpg binding protein 0.0033 0.0229 0.0578
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.012 0.0564
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0163 0.0137
Echinococcus multilocularis expressed conserved protein 0.0099 0.0841 0.1062
Echinococcus granulosus carbonic anhydrase II 0.019 0.1678 0.4238
Mycobacterium tuberculosis Conserved protein 0.0039 0.0284 0.0201
Toxoplasma gondii hypothetical protein 0.0089 0.0751 0.1104
Schistosoma mansoni DNA polymerase eta 0.0021 0.012 0.0303
Schistosoma mansoni 6-phosphofructokinase 0.0117 0.1001 0.2527
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0163 0.1402
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0021 0.0124 0.0314
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0466 0.0669
Leishmania major hypothetical protein, conserved 0.0039 0.0284 0.1203
Schistosoma mansoni cpg binding protein 0.0033 0.0229 0.0578
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0032 0.0219 0.8603
Loa Loa (eye worm) 6-phosphofructokinase 0.0117 0.1001 0.383
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0284 0.0718
Onchocerca volvulus 0.0021 0.0124 0.0381
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.012 0.0404
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.012 0.0404
Loa Loa (eye worm) hypothetical protein 0.0021 0.012 0.04
Onchocerca volvulus 0.0021 0.0124 0.0381
Echinococcus multilocularis glycoprotein Antigen 5 0.0021 0.0124 0.0157
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0089 0.0751 0.2861
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0284 0.0393
Brugia malayi hypothetical protein 0.0039 0.0284 0.1043
Echinococcus granulosus carbonic anhydrase 0.0089 0.0751 0.1897
Mycobacterium ulcerans beta-lactamase 0.0039 0.0284 0.0258
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0284 0.0258
Schistosoma mansoni carbonic anhydrase 0.0089 0.0751 0.1897
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.012 0.04
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0089 0.0751 0.2861
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0089 0.0751 0.2858
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.012 0.0956
Loa Loa (eye worm) hypothetical protein 0.0039 0.0284 0.1041
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0032 0.0219 0.8603
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0163 0.0439
Onchocerca volvulus 0.0025 0.0163 0.0534
Loa Loa (eye worm) hypothetical protein 0.0089 0.0751 0.2858
Echinococcus granulosus muscleblind protein 0.016 0.1401 0.3539
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0021 0.0124 0.0314
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.012 0.0564
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.019 0.1678 0.4238
Loa Loa (eye worm) hypothetical protein 0.0021 0.0124 0.0416
Brugia malayi Trypsin family protein 0.0289 0.2585 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.012 0.0564
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.012 0.0564
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0284 0.0718
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.012 0.0564
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.012 0.0564
Brugia malayi Protein kinase domain containing protein 0.0018 0.0094 0.0302
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0117 0.1001 0.1484
Echinococcus granulosus enteropeptidase 0.0021 0.0124 0.0314
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.1001 0.0977
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0021 0.0124 0.0157
Toxoplasma gondii pantoate-beta-alanine ligase 0.0725 0.6588 1
Echinococcus granulosus 6 phosphofructokinase 0.0117 0.1001 0.2527
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.0027 0.00000027463
Schistosoma mansoni cercarial elastase (S01 family) 0.0021 0.0124 0.0314
Mycobacterium ulcerans hypothetical protein 0.0039 0.0284 0.0258
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0089 0.0751 0.2861
Schistosoma mansoni cercarial elastase (S01 family) 0.0021 0.0124 0.0314
Loa Loa (eye worm) hypothetical protein 0.0289 0.2585 1
Entamoeba histolytica hypothetical protein 0.0039 0.0284 0.2644
Echinococcus multilocularis cpg binding protein 0.0033 0.0229 0.0289
Brugia malayi CHE-14 protein 0.0045 0.0346 0.1284
Loa Loa (eye worm) hypothetical protein 0.0039 0.0284 0.1041
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0053 0.0415 0.0592
Brugia malayi hypothetical protein 0.0021 0.0124 0.0421
Echinococcus granulosus replication factor c subunit 1 0.0011 0.0027 0.0067
Loa Loa (eye worm) hypothetical protein 0.0021 0.0124 0.0416
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0021 0.0124 0.0421
Loa Loa (eye worm) hypothetical protein 0.0045 0.0346 0.128
Mycobacterium ulcerans lipase LipD 0.0039 0.0284 0.0258
Loa Loa (eye worm) hypothetical protein 0.0039 0.0284 0.1041
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.012 0.0303
Toxoplasma gondii kringle domain-containing protein 0.0018 0.0094 0.0102
Trichomonas vaginalis conserved hypothetical protein 0.1097 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0104 0.0078
Echinococcus granulosus carbonic anhydrase 0.0089 0.0751 0.1897
Echinococcus multilocularis carbonic anhydrase 0.0089 0.0751 0.0948
Echinococcus multilocularis Niemann Pick C1 protein 0.0106 0.09 0.1136
Echinococcus granulosus expressed conserved protein 0.0099 0.0841 0.2124
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0284 0.0258
Echinococcus multilocularis carbonic anhydrase 0.0089 0.0751 0.0948
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0247 0.2196 0.2231
Loa Loa (eye worm) hypothetical protein 0.0025 0.0163 0.0569
Schistosoma mansoni cercarial elastase (S01 family) 0.0021 0.0124 0.0314
Echinococcus multilocularis carbonic anhydrase II 0.019 0.1678 0.2119
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0289 0.2585 0.6528
Echinococcus granulosus carbonic anhydrase 0.0089 0.0751 0.1897
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.1001 0.0977
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.012 0.0564
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.0027 0.00000027463
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.012 0.0564
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0163 0.0439
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0725 0.6588 0.6894
Toxoplasma gondii phosphofructokinase PFKII 0.0032 0.0219 0.0293
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0284 0.0359
Leishmania major carbonic anhydrase-like protein 0.019 0.1678 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0104 0.0339
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.012 0.0564
Schistosoma mansoni cercarial elastase (S01 family) 0.0021 0.0124 0.0314
Echinococcus multilocularis muscleblind protein 1 0.016 0.1401 0.177
Schistosoma mansoni cercarial elastase (S01 family) 0.0021 0.0124 0.0314
Echinococcus granulosus dna polymerase kappa 0.0021 0.012 0.0303
Onchocerca volvulus 0.0018 0.0094 0.0262
Schistosoma mansoni hypothetical protein 0.0018 0.0094 0.0237
Giardia lamblia DINP protein human, muc B family 0.0021 0.012 0.4843
Loa Loa (eye worm) hypothetical protein 0.0021 0.0124 0.0416
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0253 0.2254 0.2292
Toxoplasma gondii ATPase, AAA family protein 0.0011 0.0027 0.00000041743
Mycobacterium ulcerans carbonic anhydrase 0.0053 0.0415 0.039
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0193
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0284 1
Echinococcus granulosus transmembrane protease serine 3 0.0021 0.0124 0.0314
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0163 0.0208
Brugia malayi Putative carbonic anhydrase 5 precursor 0.019 0.1678 0.647
Echinococcus granulosus dnaJ subfamily B 0.0439 0.396 1
Mycobacterium tuberculosis Conserved protein 0.0039 0.0284 0.0201
Schistosoma mansoni cercarial elastase (S01 family) 0.0021 0.0124 0.0314
Schistosoma mansoni carbonic anhydrase-related 0.0089 0.0751 0.1897
Mycobacterium ulcerans integral membrane transporter 0.0035 0.025 0.0224
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0163 0.0573
Trypanosoma brucei carbonic anhydrase-like protein 0.019 0.1678 1
Echinococcus multilocularis carbonic anhydrase 0.0089 0.0751 0.0948
Leishmania major DNA polymerase eta, putative 0.0021 0.012 0.0165
Loa Loa (eye worm) hypothetical protein 0.0019 0.0104 0.0339
Leishmania major ATP-dependent phosphofructokinase 0.0117 0.1001 0.5724
Brugia malayi phosphofructokinase 0.0117 0.1001 0.3833
Loa Loa (eye worm) hypothetical protein 0.0019 0.0104 0.0339
Echinococcus granulosus nibrin 0.0011 0.0027 0.0067
Brugia malayi Trypsin family protein 0.0021 0.0124 0.0421
Leishmania major DNA polymerase kappa, putative 0.0021 0.012 0.0165
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0104 0.001
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.019 0.1678 0.6469
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0346 0.032
Loa Loa (eye worm) hypothetical protein 0.0019 0.0104 0.0339
Loa Loa (eye worm) 6-phosphofructokinase 0.0117 0.1001 0.383
Loa Loa (eye worm) carbonic anhydrase 3 0.019 0.1678 0.6469
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0021 0.0124 0.0314
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0193
Loa Loa (eye worm) hypothetical protein 0.0089 0.0751 0.2858
Echinococcus multilocularis nibrin 0.0011 0.0027 0.0034
Brugia malayi Pax transcription activation domain interacting protein 0.0011 0.0027 0.0041
Loa Loa (eye worm) hypothetical protein 0.0021 0.0124 0.0416
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0725 0.6588 1
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0219 0.0193
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0163 0.0137
Echinococcus multilocularis transmembrane protease serine 3 0.0021 0.0124 0.0157
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0032 0.0219 0.1975
Entamoeba histolytica hypothetical protein 0.0039 0.0284 0.2644
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0032 0.0219 0.1975
Brugia malayi 6-phosphofructokinase 0.0117 0.1001 0.3833
Schistosoma mansoni hypothetical protein 0.0044 0.0331 0.0836
Brugia malayi Niemann-Pick C1 protein precursor 0.0106 0.09 0.344
Schistosoma mansoni DNA ligase IV 0.0011 0.0027 0.0067
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0117 0.1001 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0032 0.0219 0.2655
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0284 0.0201
Trypanosoma brucei unspecified product 0.0021 0.012 0.0564
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.1001 1
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0032 0.0219 1
Plasmodium falciparum cysteine repeat modular protein 1 0.0018 0.0094 0.0926
Schistosoma mansoni carbonic anhydrase-related 0.0089 0.0751 0.1897
Onchocerca volvulus 0.0219 0.1942 0.7487
Schistosoma mansoni hypothetical protein 0.0021 0.0124 0.0314
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0163 0.1402
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0163 0.0137
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0094 0.0406
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.012 0.0564
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0011 0.0027 0.0041
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0163 0.0137
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0284 0.0201
Echinococcus granulosus cpg binding protein 0.0033 0.0229 0.0578
Echinococcus multilocularis 6 phosphofructokinase 0.0117 0.1001 0.1264
Plasmodium vivax sulfate transporter, putative 0.0035 0.025 0.8674
Echinococcus multilocularis muscleblind protein 0.016 0.1401 0.177
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0163 0.0573
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.012 0.0027
Schistosoma mansoni hypothetical protein 0.0021 0.0124 0.0314
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.1001 0.0977
Echinococcus granulosus tissue type plasminogen activator 0.0018 0.0094 0.0237
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0163 0.0073
Loa Loa (eye worm) hypothetical protein 0.0039 0.0284 0.1041
Brugia malayi Kringle domain containing protein 0.0018 0.0094 0.0302
Loa Loa (eye worm) hypothetical protein 0.0025 0.0163 0.0569
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0284 0.0201
Schistosoma mansoni hypothetical protein 0.0439 0.396 1
Schistosoma mansoni carbonic anhydrase-related 0.0089 0.0751 0.1897
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0284 0.0359
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.012 0.0303
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0106 0.09 0.8964
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0163 0.1402
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.0725 0.6588 0.6579
Mycobacterium ulcerans hypothetical protein 0.0025 0.0163 0.0137
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0011 0.0027 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.012 0.0093
Schistosoma mansoni 6-phosphofructokinase 0.0117 0.1001 0.2527
Onchocerca volvulus 0.0289 0.2585 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0284 0.0718
Schistosoma mansoni hypothetical protein 0.0044 0.0331 0.0836
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0104 0.3008
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0284 0.1045
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0284 0.0258
Brugia malayi Trypsin family protein 0.0021 0.0124 0.0421
Mycobacterium leprae Probable transmembrane transport protein 0.0253 0.2254 0.3395
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0117 0.1001 0.5897
Brugia malayi Muscleblind-like protein 0.016 0.1401 0.5393
Loa Loa (eye worm) hypothetical protein 0.0011 0.0027 0.0037
Schistosoma mansoni cercarial elastase (S01 family) 0.0021 0.0124 0.0314
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0018 0.0094 0.2601
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.012 0.0093
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0035 0.025 0.1354
Brugia malayi topoisomerase 0.0011 0.0027 0.0041
Plasmodium vivax 6-phosphofructokinase, putative 0.0032 0.0219 0.7462
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0089 0.0751 0.2861
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0021 0.0124 0.0314
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0163 0.0573
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0346 0.0874
Brugia malayi beta-lactamase 0.0039 0.0284 0.1045
Echinococcus multilocularis protein patched 0.0045 0.0346 0.0437
Echinococcus multilocularis protein dispatched 1 0.0052 0.0405 0.0511
Schistosoma mansoni cercarial elastase (S01 family) 0.0021 0.0124 0.0314
Plasmodium falciparum carbonic anhydrase 0.0089 0.0751 1
Schistosoma mansoni hypothetical protein 0.0044 0.0331 0.0836
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0032 0.0219 0.0193
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0306 0.274 0.2808
Schistosoma mansoni patched 1 0.0045 0.0346 0.0874
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0035 0.025 0.0224
Loa Loa (eye worm) hypothetical protein 0.0011 0.0027 0.0037
Schistosoma mansoni cpg binding protein 0.0031 0.0213 0.0537
Trypanosoma brucei unspecified product 0.0014 0.0061 0.0207
Loa Loa (eye worm) hypothetical protein 0.0039 0.0284 0.1041
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.019 0.1678 0.4238
Onchocerca volvulus 0.0021 0.0124 0.0381
Onchocerca volvulus 0.0021 0.0124 0.0381
Echinococcus multilocularis enteropeptidase 0.0021 0.0124 0.0157
Onchocerca volvulus Putative sulfate transporter 0.0219 0.1942 0.7487
Loa Loa (eye worm) hypothetical protein 0.0106 0.09 0.3437
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0089 0.0751 0.2861
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0346 0.0874
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0032 0.0219 0.0293
Echinococcus granulosus glycoprotein Antigen 5 0.0021 0.0124 0.0314
Plasmodium vivax 6-phosphofructokinase, putative 0.0032 0.0219 0.7462
Loa Loa (eye worm) hypothetical protein 0.0289 0.2585 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0027 0.0037
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0104 0.107
Toxoplasma gondii 6-phosphofructokinase 0.0032 0.0219 0.0293
Schistosoma mansoni chromosome transmission fidelity factor 0.0011 0.0027 0.0067
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0117 0.1001 0.5897
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0284 0.1561
Loa Loa (eye worm) hypothetical protein 0.0025 0.0163 0.0569
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0213 0.0761
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.012 0.0564
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0021 0.0124 0.0157
Onchocerca volvulus 0.0268 0.239 0.924
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.012 0.0303
Entamoeba histolytica hypothetical protein 0.0039 0.0284 0.2644

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 140 nM Inhibition of Mycobacterium tuberculosis pantothenate synthetase ChEMBL. 18335974
IC50 (binding) = 140 nM Inhibition of Mycobacterium tuberculosis pantothenate synthetase ChEMBL. 18335974
Inhibition (functional) Antibacterial activity against Mycobacterium tuberculosis at 128 uM by MABA assay ChEMBL. 18335974
Inhibition (functional) Antibacterial activity against Mycobacterium tuberculosis at 128 uM by LORA assay ChEMBL. 18335974
Inhibition (functional) 0 Antibacterial activity against Mycobacterium tuberculosis at 128 uM by MABA assay ChEMBL. 18335974
Inhibition (functional) 0 Antibacterial activity against Mycobacterium tuberculosis at 128 uM by LORA assay ChEMBL. 18335974
Inhibition (binding) = 98 % Inhibition of Mycobacterium tuberculosis pantothenate synthetase at 100 uM ChEMBL. 18335974
Inhibition (binding) = 98 % Inhibition of Mycobacterium tuberculosis pantothenate synthetase at 100 uM ChEMBL. 18335974

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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