Detailed information for compound 1333137

Basic information

Technical information
  • TDR Targets ID: 1333137
  • Name: 4-(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxaz in-4-yl)-4-oxo-N-[3-[4-(phenylmethyl)piperidi n-1-yl]propyl]butanamide
  • MW: 498.057 | Formula: C28H36ClN3O3
  • H donors: 1 H acceptors: 2 LogP: 4.37 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCC(=O)N1CC(C)Oc2c1cc(Cl)cc2)NCCCN1CCC(CC1)Cc1ccccc1
  • InChi: 1S/C28H36ClN3O3/c1-21-20-32(25-19-24(29)8-9-26(25)35-21)28(34)11-10-27(33)30-14-5-15-31-16-12-23(13-17-31)18-22-6-3-2-4-7-22/h2-4,6-9,19,21,23H,5,10-18,20H2,1H3,(H,30,33)
  • InChiKey: QRFXWUZQZNSJDZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[3-[4-(phenylmethyl)-1-piperidyl]propyl]butanamide
  • 4-(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]butanamide
  • N-[3-[4-(benzyl)-1-piperidyl]propyl]-4-(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-keto-butyramide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microphthalmia-associated transcription factor Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi Helix-loop-helix DNA-binding domain containing protein Get druggable targets OG5_133408 All targets in OG5_133408
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133408 All targets in OG5_133408
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus transcription factor eb Get druggable targets OG5_133408 All targets in OG5_133408
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein Get druggable targets OG5_133408 All targets in OG5_133408
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis transcription factor eb Get druggable targets OG5_133408 All targets in OG5_133408
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus regulator of G protein signaling 3 0.0245 0.0966 0.1073
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0554 0.0549
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0043 0.0038
Entamoeba histolytica hypothetical protein 0.0245 0.0966 1
Brugia malayi hypothetical protein 0.002 0.0045 0.004
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0156 0.0173
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.011 0.0789
Loa Loa (eye worm) hypothetical protein 0.0043 0.0142 0.0138
Loa Loa (eye worm) hypothetical protein 0.0043 0.0142 0.0138
Echinococcus granulosus beta-adrenergic receptor kinase 0.0251 0.099 0.11
Schistosoma mansoni ferritin 0.001 0.0007 0.0007
Mycobacterium leprae Probable lipase LipE 0.0043 0.0142 0.2747
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0142 0.0142
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0156 0.0151
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0142 0.0142
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0142 0.0158
Schistosoma mansoni smad1 5 8 and 0.001 0.0005 0.0005
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0005 0.0005
Echinococcus multilocularis cpg binding protein 0.0037 0.0115 0.0127
Loa Loa (eye worm) hypothetical protein 0.0043 0.0142 0.0138
Trichomonas vaginalis conserved hypothetical protein 0.0245 0.0966 0.7337
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0501 0.4573
Schistosoma mansoni serine/threonine protein kinase 0.2455 1 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0045 0.005
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.2455 1 1
Schistosoma mansoni regulator of G protein signaling 0.0245 0.0966 0.0966
Schistosoma mansoni glutaminase 0.033 0.1314 0.1314
Echinococcus granulosus regulator of G protein signaling 7 0.0245 0.0966 0.1073
Echinococcus granulosus axis inhibition protein axin 0.0245 0.0966 0.1073
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.0501 0.4524
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0265 0.0265
Schistosoma mansoni axis inhibition protein axin 0.0245 0.0966 0.0966
Schistosoma mansoni ferritin 0.001 0.0007 0.0007
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.011 0.0789
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0142 0.0138
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0156 0.0173
Schistosoma mansoni cpg binding protein 0.0037 0.0115 0.0115
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0045 0.005
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0043 0.0038
Echinococcus multilocularis GPCR, family 2 0.0019 0.0043 0.0047
Mycobacterium tuberculosis Conserved protein 0.0043 0.0142 0.1242
Mycobacterium tuberculosis Conserved protein 0.0043 0.0142 0.1242
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.0501 0.0497
Brugia malayi regulator of G-protein signaling rgs-7 0.0245 0.0966 0.0961
Loa Loa (eye worm) phosphofructokinase 0.0131 0.0501 0.0497
Echinococcus multilocularis regulator of G protein signaling 0.0245 0.0966 0.1073
Echinococcus granulosus RUN 0.002 0.0045 0.005
Loa Loa (eye worm) hypothetical protein 0.0245 0.0966 0.0961
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.0501 1
Schistosoma mansoni regulator of G protein signaling 0.0245 0.0966 0.0966
Echinococcus multilocularis axis inhibition protein axin 0.0245 0.0966 0.1073
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0.0007 0.5
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.011 0.0789
Echinococcus granulosus regulator of G protein signaling 7 0.0245 0.0966 0.1073
Echinococcus granulosus expressed protein 0.0245 0.0966 0.1073
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0501 0.3783
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.011 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.0966 0.0961
Schistosoma mansoni cpg binding protein 0.0037 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.002 0.0045 0.004
Brugia malayi Regulator of G protein signaling domain containing protein 0.0245 0.0966 0.0961
Echinococcus granulosus smad 0.001 0.0005 0.0005
Brugia malayi hypothetical protein 0.0245 0.0966 0.0961
Schistosoma mansoni hypothetical protein 0.0019 0.0043 0.0043
Brugia malayi phosphofructokinase 0.0131 0.0501 0.0497
Echinococcus granulosus ferritin 0.001 0.0007 0.0007
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0045 0.005
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0189 0.021
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0156 0.0173
Schistosoma mansoni axis inhibition protein axin 0.0245 0.0966 0.0966
Trichomonas vaginalis esterase, putative 0.0043 0.0142 0.1039
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.0501 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0045 0.005
Echinococcus multilocularis regulator of G protein signaling 7 0.0245 0.0966 0.1073
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.0501 0.0497
Brugia malayi PXA domain containing protein 0.0245 0.0966 0.0961
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.221 0.8999 0.8998
Echinococcus multilocularis regulator of G protein signaling 7 0.0245 0.0966 0.1073
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0009 0.0004
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0142 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0005 0.0005
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.011 0.0789
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0043 0.0038
Schistosoma mansoni polycystin 1-related 0.002 0.0045 0.0045
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.11 1
Entamoeba histolytica hypothetical protein 0.0245 0.0966 1
Schistosoma mansoni ferritin light chain 0.001 0.0007 0.0007
Echinococcus granulosus Regulator of G protein signaling 20 0.0245 0.0966 0.1073
Echinococcus multilocularis Regulator of G protein signaling 20 0.0245 0.0966 0.1073
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0142 0.1242
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.0501 0.0557
Schistosoma mansoni hypothetical protein 0.0494 0.1984 0.1984
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0142 0.1039
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0142 0.1039
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0008 0.0003
Echinococcus multilocularis regulator of G protein signaling 3 0.0245 0.0966 0.1073
Onchocerca volvulus 0.0043 0.0142 1
Schistosoma mansoni cpg binding protein 0.0035 0.0107 0.0107
Schistosoma mansoni smad 0.001 0.0005 0.0005
Echinococcus granulosus GPCR family 2 0.0019 0.0043 0.0047
Echinococcus granulosus cpg binding protein 0.0037 0.0115 0.0127
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.1984 0.2204
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0211 0.0206
Schistosoma mansoni hypothetical protein 0.0019 0.0043 0.0043
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0251 0.099 0.0986
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0245 0.0966 0.1073
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0005 0.0005
Loa Loa (eye worm) beta-lactamase 0.0043 0.0142 0.0138
Loa Loa (eye worm) hypothetical protein 0.0043 0.0142 0.0138
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0142 0.1039
Brugia malayi PXA domain containing protein 0.0245 0.0966 0.0961
Echinococcus multilocularis G protein coupled receptor kinase 6 0.221 0.8999 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0142 0.1242
Loa Loa (eye worm) hypothetical protein 0.0019 0.0043 0.0038
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0245 0.0966 0.7337
Trichomonas vaginalis conserved hypothetical protein 0.0245 0.0966 0.7337
Echinococcus granulosus dnaJ subfamily B 0.0494 0.1984 0.2204
Loa Loa (eye worm) PXA domain-containing protein 0.0245 0.0966 0.0961
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.0501 0.0501
Loa Loa (eye worm) hypothetical protein 0.0245 0.0966 0.0961
Brugia malayi beta-lactamase family protein 0.0043 0.0142 0.0138
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0043 0.0047
Schistosoma mansoni Smad4 0.001 0.0005 0.0005
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0554 0.0549
Brugia malayi 6-phosphofructokinase 0.0131 0.0501 0.0497
Schistosoma mansoni loxhd1 0.002 0.0045 0.0045
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0233 1
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0142 0.1242
Schistosoma mansoni apoferritin-2 0.001 0.0007 0.0007
Echinococcus multilocularis expressed protein 0.0245 0.0966 0.1073
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0156 0.0156
Mycobacterium ulcerans beta-lactamase 0.0043 0.0142 0.1039
Loa Loa (eye worm) glutaminase 0.033 0.1314 0.131
Brugia malayi Doublecortin family protein 0.002 0.0045 0.004
Echinococcus granulosus transcription factor eb 0.013 0.0498 0.0553
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0133 0.0128
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0043 0.0047
Brugia malayi Regulator of G protein signaling domain containing protein 0.0245 0.0966 0.0961
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0043 0.0047
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0009 0.001
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0142 0.1039
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.013 0.0498 0.0493
Echinococcus multilocularis RUN 0.002 0.0045 0.005
Echinococcus multilocularis regulator of G protein signaling 3 0.0245 0.0966 0.1073
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0245 0.0966 0.0966
Schistosoma mansoni apoferritin-2 0.001 0.0007 0.0007
Schistosoma mansoni hypothetical protein 0.0041 0.0133 0.0133
Mycobacterium ulcerans glutaminase 0.033 0.1314 1
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0501 0.3783
Onchocerca volvulus 0.0043 0.0142 1
Loa Loa (eye worm) doublecortin family protein 0.002 0.0045 0.004
Brugia malayi MH2 domain containing protein 0.0144 0.0554 0.0549
Schistosoma mansoni serine/threonine protein kinase 0.0251 0.099 0.099
Echinococcus multilocularis transcription factor eb 0.013 0.0498 0.0553
Schistosoma mansoni smad1 5 8 and 0.001 0.0005 0.0005
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0501 0.4573
Mycobacterium ulcerans hypothetical protein 0.0043 0.0142 0.1039
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0142 0.0158
Onchocerca volvulus 0.0043 0.0142 1
Trichomonas vaginalis conserved hypothetical protein 0.0245 0.0966 0.7337
Loa Loa (eye worm) hypothetical protein 0.0245 0.0966 0.0961
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0501 0.3783
Brugia malayi A-kinase anchor protein 10, precursor 0.0245 0.0966 0.0961
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.011 0.6643
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.011 0.0789
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0142 0.0138
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0501 0.3783
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0189 0.021
Brugia malayi beta-lactamase family protein 0.0043 0.0142 0.0138
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.221 0.8999 0.8998
Echinococcus multilocularis smad 0.001 0.0005 0.0005
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.221 0.8999 0.8998
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0035 0.011 0.2084
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0211 0.0206
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0245 0.0966 0.0961
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.0501 1
Schistosoma mansoni regulator of G protein signaling 0.0245 0.0966 0.0966
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0245 0.0966 0.0966
Schistosoma mansoni serine/threonine protein kinase 0.0251 0.099 0.099
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.0501 1
Loa Loa (eye worm) glutaminase 2 0.033 0.1314 0.131
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0156 0.0151
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0045 0.005
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0142 0.2747
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.011 0.0789
Schistosoma mansoni hypothetical protein 0.0019 0.0043 0.0043
Schistosoma mansoni rab6-interacting 0.002 0.0045 0.0045
Entamoeba histolytica hypothetical protein 0.0245 0.0966 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0005 0.0005
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0501 0.4573
Schistosoma mansoni regulator of G protein signaling 0.0245 0.0966 0.0966
Loa Loa (eye worm) RGS-3 protein 0.0245 0.0966 0.0961
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0245 0.0966 0.1073
Schistosoma mansoni hypothetical protein 0.0019 0.0043 0.0043
Mycobacterium tuberculosis Conserved protein 0.0043 0.0142 0.1242
Brugia malayi hypothetical protein 0.0245 0.0966 0.0961
Brugia malayi CXXC zinc finger family protein 0.0035 0.0107 0.0102
Echinococcus multilocularis beta adrenergic receptor kinase 0.0251 0.099 0.11
Schistosoma mansoni lipoxygenase 0.0055 0.0189 0.0189
Schistosoma mansoni rab6-interacting 0.002 0.0045 0.0045
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0142 0.1242
Echinococcus granulosus Smad4 0.001 0.0005 0.0005
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.011 0.6643
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.011 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0156 0.0156
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0045 0.005
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.0501 0.3783
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0142 0.1242
Schistosoma mansoni lipoxygenase 0.002 0.0045 0.0045
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0156 0.0156
Schistosoma mansoni regulator of G protein signaling 0.0245 0.0966 0.0966
Echinococcus multilocularis Smad4 0.001 0.0005 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0245 0.0966 0.7337
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0009 0.001
Echinococcus multilocularis expressed protein 0.001 0.0007 0.0007
Onchocerca volvulus 0.0035 0.0107 0.6316
Echinococcus multilocularis ferritin 0.001 0.0007 0.0007
Brugia malayi hypothetical protein 0.002 0.0045 0.004
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0005 0.0005
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.0501 0.0501
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.011 0.5
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.013 0.0495 0.049
Echinococcus granulosus axis inhibition protein axin 0.0245 0.0966 0.1073
Loa Loa (eye worm) hypothetical protein 0.0245 0.0966 0.0961
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0142 0.1039
Schistosoma mansoni z-protein (S1r protein) 0.0245 0.0966 0.0966
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0005 0.0005
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.011 0.5
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.221 0.8999 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0142 0.1242
Brugia malayi 6-phosphofructokinase 0.0131 0.0501 0.0497
Trichomonas vaginalis conserved hypothetical protein 0.0245 0.0966 0.7337
Schistosoma mansoni ferritin 0.001 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0043 0.0142 0.0138
Toxoplasma gondii ABC1 family protein 0.0043 0.0142 0.2651
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.0501 1
Echinococcus granulosus regulator of G protein signaling 3 0.0245 0.0966 0.1073
Schistosoma mansoni hypothetical protein 0.002 0.0045 0.0045
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0156 0.0173
Echinococcus granulosus expressed protein 0.001 0.0007 0.0007
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0245 0.0966 0.0966
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.0501 0.0557
Trichomonas vaginalis glutaminase, putative 0.033 0.1314 1
Loa Loa (eye worm) hypothetical protein 0.013 0.0495 0.049
Echinococcus multilocularis axis inhibition protein axin 0.0245 0.0966 0.1073
Loa Loa (eye worm) hypothetical protein 0.0245 0.0966 0.0961
Trichomonas vaginalis conserved hypothetical protein 0.0245 0.0966 0.7337
Loa Loa (eye worm) hypothetical protein 0.002 0.0045 0.004
Schistosoma mansoni ferritin light chain 0.001 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0043 0.0142 0.0138
Loa Loa (eye worm) hypothetical protein 0.0041 0.0133 0.0128
Brugia malayi glutaminase DH11.1 0.033 0.1314 0.131
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0142 0.1039
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0043 0.0047
Mycobacterium ulcerans lipase LipD 0.0043 0.0142 0.1039
Brugia malayi regulator of G-protein signaling egl-10 0.0245 0.0966 0.0961
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0211 0.0206
Brugia malayi beta-lactamase 0.0043 0.0142 0.0138
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0142 0.1039
Loa Loa (eye worm) hypothetical protein 0.006 0.0211 0.0206
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0142 0.1242
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.011 0.0789
Schistosoma mansoni ferritin 0.001 0.0007 0.0007
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0107 0.0102
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.011 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 6.98 uM PUBCHEM_BIOASSAY: MITF Orthogonal Assay: SK-MEL-5 CTG Assay Measured in Cell-Based System Using Plate Reader - 2084-02_Inhibitor_Dose_CherryPick_Activity_Set3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944] ChEMBL. No reference
AC50 (functional) = 16.171 uM PUBCHEM_BIOASSAY: MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Inhibitor_DoseNoFile_CherryPick_Activity_Set2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944] ChEMBL. No reference
AC50 (functional) = 16.171 uM PUBCHEM_BIOASSAY: MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Inhibitor_DoseNoFile_CherryPick_Activity_Set4. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944] ChEMBL. No reference
AC50 (functional) = 16.171 uM PUBCHEM_BIOASSAY: MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Inhibitor_DoseNoFile_CherryPick_Activity_Set3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944] ChEMBL. No reference
AC50 (functional) = 19.431 uM PUBCHEM_BIOASSAY: MITF Orthogonal Assay: MALME3 CTG Assay Measured in Cell-Based System Using Plate Reader - 2084-04_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944] ChEMBL. No reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182] ChEMBL. No reference
Potency (functional) 0.5012 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 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) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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