Detailed information for compound 1208633

Basic information

Technical information
  • TDR Targets ID: 1208633
  • Name: 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfon yl]-N-(phenylmethyl)piperidine-4-carboxamide
  • MW: 429.489 | Formula: C21H23N3O5S
  • H donors: 1 H acceptors: 4 LogP: 1.73 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C)NCc1ccccc1
  • InChi: 1S/C21H23N3O5S/c1-23-18-8-7-17(13-19(18)29-21(23)26)30(27,28)24-11-9-16(10-12-24)20(25)22-14-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,22,25)
  • InChiKey: YVCIMVXQYCCCRH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(phenylmethyl)-4-piperidinecarboxamide
  • N-(benzyl)-1-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonyl]isonipecotamide
  • C648-0859
  • NCGC00111429-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0104 0.11 0.1676
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0109 0.1162 0.3284
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0155 0.1693 0.1693
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0619 0.7054 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0104 0.11 0.1676
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0022 0.0034
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0774 0.1179
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0192 0.0293
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0109 0.1162 0.3284
Schistosoma mansoni serine/threonine protein kinase 0.0163 0.1782 0.2715
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0192 0.0293
Loa Loa (eye worm) hypothetical protein 0.0026 0.0192 0.0293
Onchocerca volvulus 0.0362 0.4079 0.6202
Schistosoma mansoni hypothetical protein 0.0037 0.0321 0.0489
Entamoeba histolytica fatty acid elongase, putative 0.008 0.0826 0.1259
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0022 0.0034
Brugia malayi beta-lactamase family protein 0.0043 0.0399 0.0609
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0105 0.0017
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0022 0.0034
Brugia malayi Stress-activated protein kinase jnk-1 0.0224 0.2487 0.379
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0619 0.7054 1
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.01 0.1058 0.1613
Echinococcus multilocularis neuropeptide s receptor 0.0498 0.5658 0.5658
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.006 0.0588 0.0895
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0774 0.1179
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0035 0.03 0.0296
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0774 0.1179
Loa Loa (eye worm) hypothetical protein 0.0043 0.0399 0.0609
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.01 0.1058 0.15
Brugia malayi Hexokinase family protein 0.0362 0.4079 0.6215
Loa Loa (eye worm) hypothetical protein 0.0037 0.0321 0.0489
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0022 0.0034
Loa Loa (eye worm) hypothetical protein 0.0043 0.0399 0.0609
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0022 0.0034
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0093 0.0093
Schistosoma mansoni serine/threonine protein kinase 0.006 0.0588 0.0895
Echinococcus granulosus hexokinase 0.0576 0.6563 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0315 0.3538 1
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0155 0.1693 0.2579
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0154 0.1675 0.2375
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0093 0.0142
Loa Loa (eye worm) hypothetical protein 0.0043 0.0399 0.0609
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.006 0.0588 0.0764
Entamoeba histolytica fatty acid elongase, putative 0.008 0.0826 0.1259
Loa Loa (eye worm) hypothetical protein 0.0011 0.0022 0.0034
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0022 0.0034
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0192 0.1146
Echinococcus multilocularis dnaJ subfamily B 0.0441 0.4993 0.4993
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.01 0.1058 0.1613
Echinococcus granulosus neuropeptide s receptor 0.0498 0.5658 0.8622
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0518 0.0789
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.01 0.1058 0.15
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0022 0.0022
Mycobacterium ulcerans hypothetical protein 0.0026 0.0192 0.0272
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0022 0.0022
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0022 0.0034
Loa Loa (eye worm) hypothetical protein 0.0011 0.0022 0.0034
Mycobacterium tuberculosis Conserved protein 0.0043 0.0399 0.044
Loa Loa (eye worm) hexokinase 0.0178 0.1959 0.2985
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0022 0.0034
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0022 0.0034
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0399 0.044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0022 0.0034
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0022 0.0034
Echinococcus granulosus hexokinase 0.0576 0.6563 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0022 0.0034
Entamoeba histolytica hexokinase 1 0.0576 0.6563 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0022 0.0034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0104 0.11 0.1676
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0022 0.0034
Trypanosoma cruzi hexokinase, putative 0.0576 0.6563 1
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0006 0.0009
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0192 0.0272
Brugia malayi Protein kinase domain containing protein 0.006 0.0588 0.0895
Echinococcus multilocularis hexokinase type 2 0.0576 0.6563 0.6563
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0774 0.1179
Mycobacterium ulcerans lipase LipD 0.0043 0.0399 0.0566
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.01 0.1058 0.1058
Loa Loa (eye worm) hypothetical protein 0.0011 0.0022 0.0034
Brugia malayi Hexokinase family protein 0.0576 0.6563 1
Schistosoma mansoni hypothetical protein 0.0183 0.2008 0.306
Echinococcus granulosus hexokinase type 2 0.0576 0.6563 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0315 0.3538 1
Echinococcus granulosus dual specificity protein kinase clk2 0.006 0.0588 0.0895
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0022 0.0034
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0022 0.0034
Echinococcus multilocularis GPCR, family 2 0.0017 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0183 0.2016 0.3072
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0399 0.044
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0104 0.11 0.1676
Brugia malayi steroid hormone receptor 0.0011 0.0022 0.0034
Echinococcus multilocularis hexokinase 0.0576 0.6563 0.6563
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0093 0.0142
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0192 0.0293
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0093 0.0142
Schistosoma mansoni hexokinase 0.0576 0.6563 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.0656 0.0999
Plasmodium falciparum protein serine/threonine kinase-1 0.006 0.0588 0.071
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0315 0.3538 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0022 0.0034
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0399 0.0609
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0315 0.3538 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0007 0.0007
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0093 0.0093
Entamoeba histolytica hypothetical protein 0.0039 0.0345 0.0525
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0093 0.0093
Brugia malayi beta-lactamase family protein 0.0043 0.0399 0.0609
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0399 0.044
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0518 0.0789
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0022 0.0034
Trichomonas vaginalis esterase, putative 0.0043 0.0399 0.1129
Mycobacterium tuberculosis Conserved protein 0.0043 0.0399 0.044
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0192 0.0272
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0117 0.0034
Loa Loa (eye worm) hypothetical protein 0.0019 0.0117 0.0179
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0399 0.0609
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0093 0.0142
Loa Loa (eye worm) hexokinase 0.0576 0.6563 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0011 0.0022 0.0034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0022 0.0034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0022 0.0034
Loa Loa (eye worm) hypothetical protein 0.0043 0.0399 0.0609
Brugia malayi CXXC zinc finger family protein 0.0031 0.0254 0.0388
Schistosoma mansoni hypothetical protein 0.0017 0.0093 0.0142
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.01 0.1058 0.1613
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0093 0.0093
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0022 0.0034
Brugia malayi RNA binding protein 0.0076 0.0774 0.1179
Schistosoma mansoni cpg binding protein 0.0033 0.0275 0.0419
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0399 0.044
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0399 0.1129
Echinococcus multilocularis neuropeptide receptor A26 0.0498 0.5658 0.5658
Schistosoma mansoni cpg binding protein 0.0031 0.0254 0.0388
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0093 0.0142
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0192 0.0272
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0093 0.0093
Onchocerca volvulus 0.0576 0.6563 1
Plasmodium falciparum hexokinase 0.0576 0.6563 0.9294
Loa Loa (eye worm) hypothetical protein 0.0019 0.0117 0.0179
Loa Loa (eye worm) hypothetical protein 0.0017 0.0093 0.0142
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0619 0.7054 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.0399 0.2384
Brugia malayi hexokinase 0.0576 0.6563 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0399 0.1129
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0117 0.0166
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0117 0.0034
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0399 0.0566
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0774 0.1179
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0774 0.1179
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0774 0.0774
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.006 0.0588 0.0895
Brugia malayi hypothetical protein 0.0039 0.0345 0.0525
Loa Loa (eye worm) histone methyltransferase 0.001 0.0007 0.0011
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.006 0.0588 0.0895
Loa Loa (eye worm) CMGC/CLK protein kinase 0.006 0.0588 0.0895
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0315 0.3538 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0399 0.0566
Brugia malayi nuclear hormone receptor 0.0011 0.0022 0.0034
Leishmania major protein kinase, putative 0.006 0.0588 0.0895
Schistosoma mansoni hypothetical protein 0.0017 0.0093 0.0142
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0619 0.7054 1
Echinococcus granulosus dnaJ subfamily B 0.0441 0.4993 0.7608
Schistosoma mansoni hypothetical protein 0.0017 0.0093 0.0142
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0104 0.11 0.1676
Entamoeba histolytica hexokinase 2 0.0576 0.6563 1
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.01 0.1058 0.1613
Echinococcus granulosus neuropeptide receptor A26 0.0498 0.5658 0.8622
Echinococcus granulosus hypothetical protein 0.0058 0.0567 0.0864
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.006 0.0588 0.0895
Loa Loa (eye worm) beta-lactamase 0.0043 0.0399 0.0609
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0399 0.0609
Entamoeba histolytica fatty acid elongase, putative 0.008 0.0826 0.1259
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0315 0.3538 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0399 0.0566
Brugia malayi nuclear receptor NHR-88 0.0011 0.0022 0.0034
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0066 0.0655 0.0869
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0315 0.3538 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0022 0.0034
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0093 0.0142
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0192 0.1146
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3109 0.4332
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0022 0.0034
Onchocerca volvulus 0.0031 0.0254 0.0355
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0022 0.0034
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0588 0.1661
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0345 0.0525
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0155 0.1693 0.2579
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0774 0.1179
Entamoeba histolytica hypothetical protein 0.0039 0.0345 0.0525
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0224 0.2487 0.379
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0022 0.0034
Trypanosoma brucei hexokinase, putative 0.0576 0.6563 1
Echinococcus multilocularis hexokinase 0.0576 0.6563 0.6563
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0399 0.0609
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0093 0.0142
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0399 0.044
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0192 0.0272
Echinococcus granulosus tar DNA binding protein 0.0076 0.0774 0.1179
Onchocerca volvulus 0.0043 0.0399 0.0576
Toxoplasma gondii hexokinase 0.0576 0.6563 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0518 0.0789
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0022 0.0034
Brugia malayi TAR-binding protein 0.0076 0.0774 0.1179
Trypanosoma brucei hexokinase 0.0576 0.6563 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0399 0.0609
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0518 0.0789
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0109 0.1162 0.1652
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0192 0.0293
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0315 0.3538 0.5391
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0155 0.1693 0.2554
Brugia malayi isocitrate dehydrogenase 0.0017 0.0093 0.0142
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0105 0.0017
Trypanosoma brucei hexokinase 0.0576 0.6563 1
Schistosoma mansoni serine/threonine protein kinase 0.0155 0.1693 0.2579
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0192 0.0293
Giardia lamblia Kinase, CMGC CLK 0.006 0.0588 0.1661
Onchocerca volvulus 0.0026 0.0192 0.0259
Onchocerca volvulus 0.0043 0.0399 0.0576
Entamoeba histolytica fatty acid elongase, putative 0.008 0.0826 0.1259
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0022 0.0022
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0574 0.0744
Loa Loa (eye worm) hypothetical protein 0.0011 0.0022 0.0034
Onchocerca volvulus 0.0043 0.0399 0.0576
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0155 0.1693 0.2579
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.01 0.1058 0.1613
Schistosoma mansoni serine/threonine protein kinase 0.0224 0.2487 0.379
Treponema pallidum fructose-bisphosphate aldolase 0.0315 0.3538 0.5391
Toxoplasma gondii ABC1 family protein 0.0043 0.0399 0.0473
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0192 0.0293
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0022 0.0034
Schistosoma mansoni cpg binding protein 0.0033 0.0275 0.0419
Loa Loa (eye worm) hexokinase 0.0362 0.4079 0.6215
Echinococcus multilocularis dual specificity protein kinase clk2 0.006 0.0588 0.0588
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0022 0.0034
Plasmodium vivax serine/threonine kinase-1, putative 0.006 0.0588 0.071
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0093 0.0142
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0007 0.0011
Echinococcus multilocularis hexokinase 0.0576 0.6563 0.6563
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0105 0.0017
Leishmania major protein kinase, putative 0.006 0.0588 0.0895
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0399 0.1129
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0321 0.0489
Onchocerca volvulus 0.0576 0.6563 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0093 0.0142
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0619 0.7054 0.5
Schistosoma mansoni hypothetical protein 0.0183 0.2008 0.306
Echinococcus granulosus geminin 0.0183 0.2008 0.306
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.01 0.1058 0.1613
Schistosoma mansoni hypothetical protein 0.0039 0.0345 0.0525
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0033 0.0282 0.0429
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0022 0.0022
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0192 0.0142
Entamoeba histolytica hypothetical protein 0.0039 0.0345 0.0525
Loa Loa (eye worm) RNA binding protein 0.0076 0.0774 0.1179
Treponema pallidum hexokinase (hxk) 0.0576 0.6563 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0117 0.0166
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0399 0.044
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0393 0.4443 0.677
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0022 0.0034
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0022 0.0034
Leishmania major hexokinase, putative 0.0576 0.6563 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0399 0.044
Mycobacterium tuberculosis Conserved protein 0.0043 0.0399 0.044
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0093 0.0142
Loa Loa (eye worm) hypothetical protein 0.0019 0.0117 0.0179
Loa Loa (eye worm) hypothetical protein 0.0019 0.0117 0.0179
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0399 0.1129
Loa Loa (eye worm) hypothetical protein 0.0043 0.0399 0.0609
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0399 0.0609
Echinococcus multilocularis 0.0058 0.0567 0.0567
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0022 0.0034
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0619 0.7054 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0117 0.0034
Brugia malayi Hexokinase family protein 0.0178 0.1959 0.2985
Brugia malayi ecdysteroid receptor 0.0011 0.0022 0.0034
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0399 0.2384
Loa Loa (eye worm) hypothetical protein 0.0019 0.0117 0.0179
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0154 0.1675 1
Schistosoma mansoni hypothetical protein 0.0441 0.4993 0.7608
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0022 0.0034
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0104 0.11 0.11
Echinococcus granulosus cpg binding protein 0.0033 0.0275 0.0419
Brugia malayi beta-lactamase 0.0043 0.0399 0.0609
Loa Loa (eye worm) hypothetical protein 0.0011 0.0022 0.0034
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0109 0.1162 0.1535
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0399 0.044
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0022 0.0034
Schistosoma mansoni serine/threonine protein kinase 0.006 0.0588 0.0895
Loa Loa (eye worm) hypothetical protein 0.0183 0.2016 0.3072
Echinococcus granulosus GPCR family 2 0.0017 0.0093 0.0142
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0022 0.0034
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0192 0.0293
Leishmania major hypothetical protein, conserved 0.0043 0.0399 0.0609
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0093 0.0142
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0399 0.1129
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0192 0.0272
Plasmodium vivax hexokinase, putative 0.0576 0.6563 0.9294
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0224 0.2487 0.2487
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0022 0.0034
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0345 0.0345
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0399 0.0566
Loa Loa (eye worm) hypothetical protein 0.0011 0.0022 0.0034
Echinococcus granulosus hexokinase 0.0576 0.6563 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0022 0.0034
Brugia malayi Protein kinase domain containing protein 0.0155 0.1693 0.2579
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0105 0.0017
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0192 0.0293
Loa Loa (eye worm) hypothetical protein 0.0058 0.0567 0.0864
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0399 0.0399
Onchocerca volvulus 0.0576 0.6563 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0154 0.1675 0.2273
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0032 0.027 0.0412
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0104 0.11 0.1676
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0399 0.0609
Onchocerca volvulus Hexokinase homolog 0.0362 0.4079 0.6202
Leishmania major hexokinase, putative 0.0576 0.6563 1
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0109 0.1162 0.3284
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0093 0.0093
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0315 0.3538 0.5391
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0109 0.1162 0.1535
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.006 0.0588 0.0895
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0619 0.7054 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0022 0.0034
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0022 0.0034
Loa Loa (eye worm) hypothetical protein 0.0026 0.0192 0.0293
Loa Loa (eye worm) hypothetical protein 0.0043 0.0399 0.0609
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0066 0.0655 0.0929
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0022 0.0022
Entamoeba histolytica fatty acid elongase, putative 0.008 0.0826 0.1259
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0774 0.1179
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0109 0.1162 0.3284
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0345 0.0525
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0022 0.0034
Schistosoma mansoni hypothetical protein 0.0017 0.0093 0.0142
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0093 0.0093
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0315 0.3538 1
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0619 0.7054 1
Loa Loa (eye worm) hexokinase 0.0576 0.6563 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0022 0.0034
Entamoeba histolytica hypothetical protein 0.0039 0.0345 0.0525
Loa Loa (eye worm) hypothetical protein 0.0026 0.0192 0.0293
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0192 0.0272
Brugia malayi hexokinase type II 0.0183 0.2016 0.3072
Schistosoma mansoni coup transcription factor 0.0011 0.0022 0.0034
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0093 0.0142
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0192 0.0142
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0022 0.0022
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0022 0.0034
Brugia malayi Protein kinase domain containing protein 0.0163 0.1782 0.2715
Trypanosoma cruzi hexokinase, putative 0.0576 0.6563 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0192 0.0272
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0022 0.0022
Echinococcus multilocularis geminin 0.0183 0.2008 0.2008
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0022 0.0034
Echinococcus multilocularis cpg binding protein 0.0033 0.0275 0.0275
Echinococcus granulosus c-Jun N-terminal kinases 0.0224 0.2487 0.379
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0022 0.0034
Loa Loa (eye worm) hypothetical protein 0.0011 0.0022 0.0034
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.006 0.0588 0.0895
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0192 0.0293
Loa Loa (eye worm) hexokinase type II 0.0576 0.6563 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0022 0.0034
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0093 0.0142
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0104 0.11 0.11
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0155 0.1693 0.2579
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0163 0.1782 0.2715
Brugia malayi glucose-6-phosphate dehydrogenase 0.01 0.1058 0.1613
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0315 0.3538 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0022 0.0034
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0093 0.0142
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.01 0.1058 0.1613
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0254 0.0388
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0399 0.0609
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0104 0.11 0.1676

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 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) 7.3753 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) 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) = 28.1838 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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