Detailed information for compound 982857

Basic information

Technical information
  • TDR Targets ID: 982857
  • Name: 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-m ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]meth yl]benzamide
  • MW: 485.427 | Formula: C21H26Cl2N4O3S
  • H donors: 1 H acceptors: 4 LogP: 3.68 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)C(=O)NCC1(CCN(CC1)S(=O)(=O)c1cnn(c1)C)CC1CC1
  • InChi: 1S/C21H26Cl2N4O3S/c1-26-13-17(12-25-26)31(29,30)27-8-6-21(7-9-27,11-15-2-3-15)14-24-20(28)18-5-4-16(22)10-19(18)23/h4-5,10,12-13,15H,2-3,6-9,11,14H2,1H3,(H,24,28)
  • InChiKey: VGOWICADPNPHLJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonyl-4-piperidyl]methyl]benzamide
  • 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-[(1-methyl-4-pyrazolyl)sulfonyl]-4-piperidinyl]methyl]benzamide
  • 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonyl-piperidin-4-yl]methyl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 6 (neurotransmitter transporter, glycine), member 9 Starlite/ChEMBL References
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128673 All targets in OG5_128673
Brugia malayi Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128673 All targets in OG5_128673
Echinococcus granulosus sodium and chloride dependent glycine Get druggable targets OG5_128673 All targets in OG5_128673
Echinococcus granulosus sodium and chloride dependent glycine Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma japonicum Sodium-dependent proline transporter, putative Get druggable targets OG5_128673 All targets in OG5_128673
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128673 All targets in OG5_128673
Echinococcus multilocularis sodium and chloride dependent glycine Get druggable targets OG5_128673 All targets in OG5_128673
Echinococcus multilocularis sodium and chloride dependent glycine Get druggable targets OG5_128673 All targets in OG5_128673
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma japonicum Sodium- and chloride-dependent glycine transporter 1, putative Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma japonicum Sodium- and chloride-dependent glycine transporter 1, putative Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128673 All targets in OG5_128673
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128673 All targets in OG5_128673
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis serotonin transporter solute carrier family 6 (neurotransmitter transporter, glycine), member 9 633 aa 616 aa 38.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.2869 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.0223 0.0223
Brugia malayi mbt repeat family protein 0.0151 0.0311 0.0311
Loa Loa (eye worm) MBCTL1 0.0172 0.0385 0.0385
Echinococcus multilocularis tar DNA binding protein 0.0074 0.0036 0.0036
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.0223 0.0223
Brugia malayi RNA, U transporter 1 0.0181 0.0419 0.0419
Brugia malayi 6-phosphofructokinase 0.0118 0.0192 0.0192
Leishmania major DNA polymerase kappa, putative 0.0126 0.0223 0.0074
Echinococcus granulosus sodium and chloride dependent glycine 0.0191 0.0454 0.0454
Trichomonas vaginalis penicillin-binding protein, putative 0.0158 0.0338 0.0333
Trichomonas vaginalis esterase, putative 0.0158 0.0338 0.0333
Entamoeba histolytica deoxycytidyl transferase, putative 0.0126 0.0223 1
Brugia malayi 6-phosphofructokinase 0.0118 0.0192 0.0192
Echinococcus multilocularis protein dispatched 1 0.1181 0.3983 0.3983
Brugia malayi phosphofructokinase 0.0118 0.0192 0.0192
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.0223 0.0223
Brugia malayi Calcitonin receptor-like protein seb-1 0.027 0.0735 0.0735
Entamoeba histolytica phosphofructokinase, putative 0.0118 0.0192 0.8075
Mycobacterium leprae conserved hypothetical protein 0.0158 0.0338 1
Brugia malayi mbt repeat family protein 0.0151 0.0311 0.0311
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.0223 0.0223
Echinococcus granulosus SAM and MBT domain containing protein 0.0151 0.0311 0.0311
Schistosoma mansoni hypothetical protein 0.0918 0.3044 0.3044
Mycobacterium tuberculosis Probable hydrolase 0.0158 0.0338 0.0458
Schistosoma mansoni sodium/chloride dependent transporter 0.0191 0.0454 0.0454
Mycobacterium tuberculosis Probable lipase LipD 0.0158 0.0338 0.0458
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0191 0.0454 0.0454
Trypanosoma cruzi DNA polymerase eta, putative 0.0152 0.0314 0.0167
Loa Loa (eye worm) hypothetical protein 0.0085 0.0077 0.0077
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0158 0.0338 0.0458
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0036 0.0036
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0114 0.0114
Schistosoma mansoni hypothetical protein 0.0085 0.0077 0.0077
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0158 0.0338 0.0338
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.068 0.2198 0.2198
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1346 0.4571 1
Loa Loa (eye worm) hypothetical protein 0.027 0.0735 0.0735
Trypanosoma cruzi DNA polymerase kappa, putative 0.0126 0.0223 0.0074
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0152 0.0314 0.9309
Trypanosoma brucei PAB1-binding protein , putative 0.0106 0.015 0.015
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.2869 1 1
Schistosoma mansoni patched 1 0.1181 0.3983 0.3983
Echinococcus multilocularis geminin 0.038 0.1129 0.1129
Echinococcus granulosus snurportin 1 0.068 0.2198 0.2198
Loa Loa (eye worm) phosphofructokinase 0.0118 0.0192 0.0192
Toxoplasma gondii LsmAD domain-containing protein 0.0106 0.015 0.4441
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.0223 0.0223
Trichomonas vaginalis DNA polymerase eta, putative 0.0126 0.0223 0.0071
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.0223 0.0223
Mycobacterium tuberculosis Probable lipase LipE 0.0158 0.0338 0.0458
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0158 0.0338 0.0338
Loa Loa (eye worm) beta-lactamase 0.0158 0.0338 0.0338
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0114 0.0114
Trypanosoma cruzi DNA polymerase eta, putative 0.0239 0.0625 0.0482
Echinococcus granulosus dna polymerase eta 0.0239 0.0625 0.0625
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0085 0.0077 0.0077
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0126 0.0223 0.0223
Plasmodium falciparum ataxin-2 like protein, putative 0.0106 0.015 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0172 0.0385 0.0385
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.2869 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0085 0.0077 0.0077
Trichomonas vaginalis D-aminoacylase, putative 0.0158 0.0338 0.0333
Entamoeba histolytica phosphofructokinase, putative 0.0118 0.0192 0.8075
Echinococcus granulosus dna polymerase kappa 0.0126 0.0223 0.0223
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.1346 0.4571 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1346 0.4571 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.1012 0.3382 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0106 0.015 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0172 0.0385 0.0385
Loa Loa (eye worm) hypothetical protein 0.0158 0.0338 0.0338
Trypanosoma cruzi DNA polymerase kappa, putative 0.0126 0.0223 0.0074
Loa Loa (eye worm) RNA binding protein 0.0074 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.1181 0.3983 0.3983
Loa Loa (eye worm) hypothetical protein 0.0106 0.015 0.015
Trypanosoma cruzi DNA polymerase kappa, putative 0.0126 0.0223 0.0074
Echinococcus granulosus Niemann Pick C1 protein 0.1181 0.3983 0.3983
Echinococcus multilocularis GPCR, family 2 0.0085 0.0077 0.0077
Echinococcus granulosus tar DNA binding protein 0.0074 0.0036 0.0036
Schistosoma mansoni hypothetical protein 0.038 0.1129 0.1129
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.1181 0.3983 0.3983
Schistosoma mansoni hypothetical protein 0.0081 0.0061 0.0061
Brugia malayi beta-lactamase family protein 0.0158 0.0338 0.0338
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0114 0.0114
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.2869 1 1
Plasmodium vivax hypothetical protein, conserved 0.0158 0.0338 1
Brugia malayi RNA binding protein 0.0074 0.0036 0.0036
Mycobacterium ulcerans esterase/lipase LipP 0.0158 0.0338 0.0149
Echinococcus multilocularis dna polymerase kappa 0.0126 0.0223 0.0223
Loa Loa (eye worm) hypothetical protein 0.0151 0.0311 0.0311
Mycobacterium ulcerans hypothetical protein 0.0158 0.0338 0.0149
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0081 0.0061 0.0061
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0118 0.0192 0.5
Loa Loa (eye worm) hypothetical protein 0.0239 0.0625 0.0625
Mycobacterium ulcerans lipase LipD 0.0158 0.0338 0.0149
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0085 0.0077 0.0077
Brugia malayi TAR-binding protein 0.0074 0.0036 0.0036
Plasmodium vivax ataxin-2 like protein, putative 0.0106 0.015 0.4441
Echinococcus granulosus Protein patched homolog 1 0.1181 0.3983 0.3983
Schistosoma mansoni hypothetical protein 0.038 0.1129 0.1129
Echinococcus multilocularis 6 phosphofructokinase 0.0118 0.0192 0.0192
Trypanosoma cruzi DNA polymerase kappa, putative 0.0126 0.0223 0.0074
Schistosoma mansoni sex comb on midleg homolog 0.0151 0.0311 0.0311
Schistosoma mansoni hypothetical protein 0.068 0.2198 0.2198
Trypanosoma cruzi hypothetical protein, conserved 0.0158 0.0338 0.0191
Leishmania major hypothetical protein, conserved 0.0158 0.0338 0.0191
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0081 0.0061 0.0061
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0172 0.0385 0.0385
Echinococcus multilocularis sodium and chloride dependent glycine 0.0191 0.0454 0.0454
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0191 0.0454 0.0454
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.0083 0.0083
Loa Loa (eye worm) mbt repeat family protein 0.0151 0.0311 0.0311
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.0036 0.0036
Echinococcus multilocularis SAM and MBT domain containing protein 0.0151 0.0311 0.0311
Echinococcus granulosus polycomb protein SCMH1 0.0151 0.0311 0.0311
Trypanosoma brucei DNA polymerase IV, putative 0.0126 0.0223 0.0223
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.0223 0.0223
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0158 0.0338 0.0338
Brugia malayi hypothetical protein 0.0106 0.015 0.015
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0036 0.0036
Trypanosoma cruzi hypothetical protein, conserved 0.0158 0.0338 0.0191
Schistosoma mansoni 6-phosphofructokinase 0.0118 0.0192 0.0192
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0595 0.1893 0.1893
Mycobacterium leprae Probable lipase LipE 0.0158 0.0338 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0118 0.0192 0.0192
Brugia malayi CHE-14 protein 0.1181 0.3983 0.3983
Loa Loa (eye worm) TAR-binding protein 0.0074 0.0036 0.0036
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0118 0.0192 0.0042
Onchocerca volvulus 0.0158 0.0338 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0158 0.0338 0.0333
Brugia malayi Latrophilin receptor protein 2 0.0085 0.0077 0.0077
Echinococcus granulosus histone acetyltransferase MYST2 0.0172 0.0385 0.0385
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.2869 1 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0172 0.0385 0.0385
Schistosoma mansoni 6-phosphofructokinase 0.0118 0.0192 0.0192
Trypanosoma brucei unspecified product 0.0087 0.0083 0.0083
Echinococcus multilocularis histone acetyltransferase MYST2 0.0172 0.0385 0.0385
Echinococcus multilocularis sodium and chloride dependent glycine 0.0191 0.0454 0.0454
Echinococcus granulosus geminin 0.038 0.1129 0.1129
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0126 0.0223 0.0071
Echinococcus multilocularis polycomb protein SCMH1 0.0151 0.0311 0.0311
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1346 0.4571 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0158 0.0338 0.0338
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0158 0.0338 0.0338
Loa Loa (eye worm) hypothetical protein 0.0158 0.0338 0.0338
Echinococcus multilocularis Niemann Pick C1 protein 0.1181 0.3983 0.3983
Trypanosoma brucei unspecified product 0.0087 0.0083 0.0083
Brugia malayi beta-lactamase 0.0158 0.0338 0.0338
Loa Loa (eye worm) transcription factor SMAD2 0.0252 0.0671 0.0671
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.0083 0.0083
Brugia malayi hypothetical protein 0.0081 0.0061 0.0061
Schistosoma mansoni hypothetical protein 0.0085 0.0077 0.0077
Echinococcus multilocularis dna polymerase eta 0.0239 0.0625 0.0625
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0126 0.0223 0.0074
Echinococcus multilocularis sterol regulatory element binding protein 0.1181 0.3983 0.3983
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0036 0.0036
Schistosoma mansoni niemann-pick C1 (NPC1) 0.1181 0.3983 0.3983
Trypanosoma brucei DNA polymerase IV, putative 0.0126 0.0223 0.0223
Echinococcus multilocularis beta LACTamase domain containing family member 0.0158 0.0338 0.0338
Trichomonas vaginalis D-aminoacylase, putative 0.0158 0.0338 0.0333
Echinococcus multilocularis protein patched 0.1181 0.3983 0.3983
Trypanosoma brucei DNA polymerase IV, putative 0.0126 0.0223 0.0223
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.0083 0.0083
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.0036 0.0036
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0151 0.0311 0.0311
Onchocerca volvulus 0.0158 0.0338 1
Leishmania major ATP-dependent phosphofructokinase 0.0118 0.0192 0.0042
Trichomonas vaginalis conserved hypothetical protein 0.1181 0.3983 0.8658
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0036 0.0036
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0114 0.0114
Mycobacterium ulcerans DNA polymerase IV 0.0126 0.0223 0.0032
Echinococcus granulosus 6 phosphofructokinase 0.0118 0.0192 0.0192
Mycobacterium tuberculosis Conserved hypothetical protein 0.0126 0.0223 0.0098
Loa Loa (eye worm) hypothetical protein 0.0184 0.043 0.043
Brugia malayi ImpB/MucB/SamB family protein 0.0239 0.0625 0.0625
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0126 0.0223 0.0223
Trypanosoma brucei unspecified product 0.0126 0.0223 0.0223
Schistosoma mansoni DNA polymerase eta 0.0239 0.0625 0.0625
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0158 0.0338 0.0458
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0114 0.0114
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0114 0.0114
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.2869 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0085 0.0077 0.0077
Schistosoma mansoni sodium/chloride dependent transporter 0.0191 0.0454 0.0454
Loa Loa (eye worm) hypothetical protein 0.2869 1 1
Echinococcus granulosus sterol regulatory element binding protein 0.1181 0.3983 0.3983
Loa Loa (eye worm) hypothetical protein 0.0191 0.0454 0.0454
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0126 0.0223 0.0223
Loa Loa (eye worm) hypothetical protein 0.0191 0.0454 0.0454
Leishmania major DNA polymerase eta, putative 0.0239 0.0625 0.0482
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0114 0.0114
Mycobacterium tuberculosis Conserved protein 0.0158 0.0338 0.0458
Mycobacterium tuberculosis Conserved protein 0.0158 0.0338 0.0458
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.0223 0.0223
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0085 0.0077 0.0077
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0595 0.1893 0.1893
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0158 0.0338 0.0458
Echinococcus granulosus beta LACTamase domain containing family member 0.0158 0.0338 0.0338
Mycobacterium ulcerans DNA polymerase IV 0.0126 0.0223 0.0032
Leishmania major DNA polymerase eta, putative 0.0152 0.0314 0.0167
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.027 0.0735 0.0735
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.0223 0.0223
Trichomonas vaginalis D-aminoacylase, putative 0.0158 0.0338 0.0333
Echinococcus granulosus sodium and chloride dependent glycine 0.0191 0.0454 0.0454
Brugia malayi beta-lactamase family protein 0.0158 0.0338 0.0338
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0126 0.0223 0.0098
Trypanosoma brucei hypothetical protein, conserved 0.0158 0.0338 0.0338
Schistosoma mansoni hypothetical protein 0.0085 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0158 0.0338 0.0338
Brugia malayi ImpB/MucB/SamB family protein 0.0126 0.0223 0.0223
Schistosoma mansoni sex comb on midleg homolog 0.0151 0.0311 0.0311
Toxoplasma gondii ABC1 family protein 0.0158 0.0338 1
Echinococcus granulosus GPCR family 2 0.0085 0.0077 0.0077
Loa Loa (eye worm) 6-phosphofructokinase 0.0118 0.0192 0.0192
Mycobacterium ulcerans beta-lactamase 0.0158 0.0338 0.0149
Entamoeba histolytica phosphofructokinase, putative 0.0118 0.0192 0.8075
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0126 0.0223 0.0223
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0118 0.0192 0.0192
Trypanosoma brucei DNA polymerase eta, putative 0.0239 0.0625 0.0625
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0114 0.0114
Echinococcus multilocularis snurportin 1 0.068 0.2198 0.2198
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.0223 0.0223
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0158 0.0338 0.0149
Schistosoma mansoni terminal deoxycytidyl transferase 0.0126 0.0223 0.0223
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.2869 1 1
Onchocerca volvulus 0.0158 0.0338 1
Mycobacterium tuberculosis Conserved protein 0.0158 0.0338 0.0458
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0036 0.0036
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.2869 1 1
Brugia malayi MH2 domain containing protein 0.0252 0.0671 0.0671
Schistosoma mansoni hypothetical protein 0.0085 0.0077 0.0077
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.27 0.9397 0.9397
Schistosoma mansoni hypothetical protein 0.0184 0.043 0.043
Loa Loa (eye worm) pigment dispersing factor receptor c 0.027 0.0735 0.0735
Schistosoma mansoni transcription factor LCR-F1 0.0081 0.0061 0.0061
Brugia malayi hypothetical protein 0.0068 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0158 0.0338 0.0338
Loa Loa (eye worm) MH2 domain-containing protein 0.0252 0.0671 0.0671
Brugia malayi latrophilin 2 splice variant baaae 0.0184 0.043 0.043
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0085 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0172 0.0385 0.0385
Loa Loa (eye worm) hypothetical protein 0.0158 0.0338 0.0338
Mycobacterium tuberculosis Probable esterase LipL 0.0158 0.0338 0.0458

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 10.35 nM Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in human JAR cells after 3 hrs by scintillation counting ChEMBL. 19318248
IC50 (binding) > 10 uM Inhibition of human glycine transporter 2 ChEMBL. 19318248

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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