Detailed information for compound 1374321

Basic information

Technical information
  • TDR Targets ID: 1374321
  • Name: heptyl 4-amino-3,5,6-trichloropyridine-2-carb oxylate
  • MW: 339.645 | Formula: C13H17Cl3N2O2
  • H donors: 1 H acceptors: 2 LogP: 5.45 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCOC(=O)c1nc(Cl)c(c(c1Cl)N)Cl
  • InChi: 1S/C13H17Cl3N2O2/c1-2-3-4-5-6-7-20-13(19)11-8(14)10(17)9(15)12(16)18-11/h2-7H2,1H3,(H2,17,18)
  • InChiKey: HPCWHMNQJOAAJN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • heptyl 4-amino-3,5,6-trichloro-pyridine-2-carboxylate
  • 4-amino-3,5,6-trichloro-2-pyridinecarboxylic acid heptyl ester
  • 4-amino-3,5,6-trichloro-picolinic acid heptyl ester
  • T5832009
  • MLS000392829
  • SMR000261779

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0039 0.01 0.01
Toxoplasma gondii hypothetical protein 0.0051 0.0163 0.0358
Toxoplasma gondii kinesin motor domain-containing protein 0.0133 0.0582 0.1846
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0154 0.03
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0237 0.0462
Schistosoma mansoni alpha glucosidase 0.0044 0.0125 0.0281
Loa Loa (eye worm) hypothetical protein 0.0021 0.0012 0.0012
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0051 0.0163 0.0366
Onchocerca volvulus 0.0039 0.01 0.0052
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.01 0.0089
Brugia malayi Cytochrome P450 family protein 0.0056 0.0186 0.0186
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0037 0.0037
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0209 0.0209
Onchocerca volvulus 0.0039 0.01 0.0052
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0023 0.0045
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0049 0.0042
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.01 0.0089
Plasmodium vivax hypothetical protein, conserved 0.0039 0.01 0.0309
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.0049 0.0043
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0154 0.0346
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0154 0.03
Toxoplasma gondii hypothetical protein 0.0051 0.0163 0.0358
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.0049 0.0037
Loa Loa (eye worm) solute carrier family 6 member 4 0.0301 0.1433 0.1433
Brugia malayi mbt repeat family protein 0.0058 0.0196 0.0196
Schistosoma mansoni hypothetical protein 0.0022 0.0013 0.0029
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.01 0.0094
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0051 0.0163 0.0366
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.01 0.0094
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0051 0.0163 0.0163
Brugia malayi Bromodomain containing protein 0.0078 0.0302 0.0302
Mycobacterium leprae conserved hypothetical protein 0.0039 0.01 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0049 0.0037
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0049 0.0042
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0049 0.0037
Onchocerca volvulus 0.0114 0.0482 0.0436
Loa Loa (eye worm) hypothetical protein 0.0306 0.1458 0.1458
Schistosoma mansoni kinesin eg-5 0.0133 0.0582 0.1308
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0125 0.0077
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0013 0.0013
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0196 0.0196
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0049 0.0049
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.01 0.0094
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0196 0.0383
Schistosoma mansoni hypothetical protein 0.035 0.1685 0.3787
Schistosoma mansoni bromodomain containing protein 0.0066 0.024 0.0539
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0905 0.0905
Loa Loa (eye worm) kinesin-like protein KLP2 0.0133 0.0582 0.0582
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0585 0.288 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0196 0.0441
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0585 0.288 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0301 0.1433 0.1433
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.1984 1 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0196 0.0383
Schistosoma mansoni lamin 0.0033 0.0069 0.0155
Onchocerca volvulus 0.0033 0.0069 0.002
Schistosoma mansoni alpha-glucosidase 0.0169 0.0765 0.1719
Brugia malayi Kinesin motor domain containing protein 0.0133 0.0582 0.0582
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0585 0.288 0.288
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0062 0.0139
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0051 0.0163 0.0163
Echinococcus granulosus sodium and chloride dependent glycine 0.0051 0.0163 0.0317
Schistosoma mansoni sodium/chloride dependent transporter 0.0051 0.0163 0.0366
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0051 0.0163 0.0317
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0196 0.0148
Brugia malayi Cytochrome P450 family protein 0.0026 0.0037 0.0037
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0125 0.0311
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0292 0.0292
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.1058 0.2063
Loa Loa (eye worm) hypothetical protein 0.0074 0.028 0.028
Onchocerca volvulus 0.0051 0.0163 0.0115
Schistosoma mansoni sodium/chloride dependent transporter 0.0301 0.1433 0.322
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0037 0.0037
Plasmodium vivax amine transporter, putative 0.0051 0.0163 0.0526
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0049 0.0037
Onchocerca volvulus 0.1984 1 1
Plasmodium falciparum amino acid transporter, putative 0.0051 0.0163 0.0526
Mycobacterium ulcerans beta-lactamase 0.0039 0.01 0.0089
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0125 0.0025
Loa Loa (eye worm) hypothetical protein 0.0021 0.0012 0.0012
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.01 0.0226
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0094 0.0184
Onchocerca volvulus 0.0058 0.0196 0.0148
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0051 0.0163 0.0366
Plasmodium vivax kinesin-5 0.0133 0.0582 0.1988
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1984 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0049 0.0153 0.0298
Plasmodium vivax hypothetical protein, conserved 0.0051 0.0163 0.0526
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0051 0.0163 0.0366
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.01 0.0094
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0585 0.288 0.5614
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0049 0.0049
Mycobacterium ulcerans hypothetical protein 0.0029 0.0049 0.0037
Echinococcus granulosus muscleblind protein 0.0306 0.1458 0.2843
Brugia malayi PHD-finger family protein 0.0026 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0039 0.01 0.01
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0051 0.0163 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0154 0.0154
Echinococcus multilocularis sodium and chloride dependent glycine 0.0051 0.0163 0.0317
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0051 0.0163 0.0358
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0585 0.288 0.2808
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0125 0.0025
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0221 0.0431
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0585 0.288 0.288
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0237 0.0532
Loa Loa (eye worm) hypothetical protein 0.0032 0.0066 0.0066
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0125 0.0025
Schistosoma mansoni hypothetical protein 0.0205 0.0945 0.2123
Loa Loa (eye worm) hypothetical protein 0.0029 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0066 0.0237 0.0237
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.4145 0.9313
Onchocerca volvulus 0.0248 0.1164 0.1121
Loa Loa (eye worm) hypothetical protein 0.0039 0.01 0.01
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0051 0.0163 0.0317
Echinococcus granulosus lamin 0.0033 0.0069 0.0134
Echinococcus multilocularis zinc finger protein 0.002 0.0007 0.0014
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0196 0.0441
Trichomonas vaginalis set domain proteins, putative 0.0248 0.1164 0.1074
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0585 0.288 0.5614
Leishmania major hypothetical protein, conserved 0.0039 0.01 0.0223
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1984 1 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.01 0.01
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1984 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0049 0.0049
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1984 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0163 0.0163
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0186 0.0186
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0125 0.0311
Schistosoma mansoni sodium/chloride dependent transporter 0.0051 0.0163 0.0366
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0292 0.057
Loa Loa (eye worm) hypothetical protein 0.0051 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0051 0.0163 0.0163
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.01 0.0196
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.01 0.0196
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0069 0.0069
Trypanosoma brucei glucosidase, putative 0.0044 0.0125 0.0311
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0125 0.0077
Echinococcus granulosus zinc finger protein 0.002 0.0007 0.0014
Echinococcus multilocularis geminin 0.0205 0.0945 0.1842
Loa Loa (eye worm) hypothetical protein 0.0301 0.1433 0.1433
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0051 0.0163 0.0163
Onchocerca volvulus 0.0301 0.1433 0.1391
Onchocerca volvulus 0.0051 0.0163 0.0115
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0585 0.288 1
Loa Loa (eye worm) hypothetical protein 0.0301 0.1433 0.1433
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0.0037 0.0025
Loa Loa (eye worm) hypothetical protein 0.0039 0.01 0.01
Plasmodium falciparum transporter, putative 0.0051 0.0163 0.0526
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0051 0.0163 0.0163
Schistosoma mansoni hypothetical protein 0.0205 0.0945 0.2123
Echinococcus multilocularis lamin dm0 0.0033 0.0069 0.0134
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0062 0.0121
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0585 0.288 0.2845
Mycobacterium ulcerans lipase LipD 0.0039 0.01 0.0089
Echinococcus granulosus intermediate filament protein 0.0033 0.0069 0.0134
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0585 0.288 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0905 0.1763
Loa Loa (eye worm) hypothetical protein 0.0051 0.0163 0.0163
Schistosoma mansoni hypothetical protein 0.0893 0.4451 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0125 0.0125
Onchocerca volvulus 0.0039 0.01 0.0052
Plasmodium falciparum kinesin-5 0.0133 0.0582 0.1988
Loa Loa (eye worm) follicle stimulating hormone receptor 0.023 0.1075 0.1075
Echinococcus granulosus sodium and chloride dependent glycine 0.0051 0.0163 0.0317
Loa Loa (eye worm) hypothetical protein 0.0021 0.0012 0.0012
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.0049 0.0037
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0196 0.0383
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0051 0.0163 0.0358
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0237 0.0462
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0051 0.0163 0.0317
Echinococcus multilocularis kinesin family 1 0.1027 0.5129 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0049 0.0037
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0237 0.0462
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.01 0.0094
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0301 0.1433 0.322
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0221 0.0431
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.4145 0.808
Loa Loa (eye worm) hypothetical protein 0.0058 0.0196 0.0196
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0154 0.03
Loa Loa (eye worm) norepinephrine transporter 0.0301 0.1433 0.1433
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0248 0.1164 0.1159
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.01 0.0094
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0049 0.0049
Echinococcus granulosus kinesin family 1 0.1027 0.5129 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.01 0.0226
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0062 0.0139
Schistosoma mansoni sodium-dependent amino acid transporter 0.0051 0.0163 0.0366
Brugia malayi Bromodomain containing protein 0.004 0.0107 0.0107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0154 0.0346
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0012 0.0006
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1984 1 1
Mycobacterium tuberculosis Conserved protein 0.0039 0.01 0.0094
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0292 0.0292
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0125 0.0244
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0153 0.0343
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0905 0.1763
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1984 1 1
Loa Loa (eye worm) hypothetical protein 0.0301 0.1433 0.1433
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0056 0.0109
Loa Loa (eye worm) hypothetical protein 0.0039 0.01 0.01
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0905 0.1763
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0069 0.0069
Brugia malayi Pre-SET motif family protein 0.0218 0.1011 0.1011
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0125 0.0025
Echinococcus granulosus tar DNA binding protein 0.0076 0.0292 0.057
Loa Loa (eye worm) hypothetical protein 0.0041 0.0113 0.0113
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0218 0.1011 0.1011
Loa Loa (eye worm) hypothetical protein 0.0021 0.0012 0.0012
Echinococcus multilocularis serotonin transporter 0.0301 0.1433 0.2794
Schistosoma mansoni zinc finger protein 0.002 0.0007 0.0016
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0585 0.288 0.288
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1984 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0209 0.0209
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0292 0.0657
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0292 0.0657
Loa Loa (eye worm) hypothetical protein 0.0051 0.0163 0.0163
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0196 0.0383
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0585 0.288 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0125 0.0025
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1984 1 1
Onchocerca volvulus 0.0033 0.0069 0.002
Echinococcus multilocularis lamin 0.0033 0.0069 0.0134
Schistosoma mansoni intermediate filament proteins 0.0033 0.0069 0.0155
Brugia malayi follicle stimulating hormone receptor 0.023 0.1075 0.1075
Echinococcus granulosus serotonin transporter 0.0301 0.1433 0.2794
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0585 0.288 0.6471
Echinococcus multilocularis musashi 0.0033 0.0069 0.0134
Loa Loa (eye worm) hypothetical protein 0.0033 0.0069 0.0069
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0049 0.0043
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.01 0.0223
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0125 0.0025
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0023 0.0052
Loa Loa (eye worm) hypothetical protein 0.004 0.0107 0.0107
Onchocerca volvulus 0.0031 0.0062 0.0013
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0292 0.0657
Brugia malayi beta-lactamase family protein 0.0039 0.01 0.01
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0292 0.0657
Loa Loa (eye worm) CYP4Cod1 0.0026 0.0037 0.0037
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0585 0.288 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0049 0.0049
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0051 0.0163 0.0163
Brugia malayi intermediate filament protein 0.0033 0.0069 0.0069
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0094 0.0184
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0113 0.0113
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0292 0.0292
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.1984 1 1
Brugia malayi Muscleblind-like protein 0.0306 0.1458 0.1458
Loa Loa (eye worm) hypothetical protein 0.0045 0.013 0.013
Brugia malayi Pre-SET motif family protein 0.0031 0.0062 0.0062
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0237 0.0237
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0125 0.0025
Brugia malayi beta-lactamase family protein 0.0039 0.01 0.01
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0023 0.0045
Schistosoma mansoni lamin 0.0033 0.0069 0.0155
Loa Loa (eye worm) hypothetical protein 0.0043 0.012 0.012
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0051 0.0163 0.0163
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0125 0.0125
Brugia malayi Cytochrome P450 family protein 0.0026 0.0037 0.0037
Brugia malayi hypothetical protein 0.0051 0.0163 0.0163
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.01 0.0094
Loa Loa (eye worm) beta-lactamase 0.0039 0.01 0.01
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.01 0.01
Onchocerca volvulus 0.0051 0.0163 0.0115
Echinococcus multilocularis sodium and chloride dependent glycine 0.0051 0.0163 0.0317
Mycobacterium tuberculosis Conserved protein 0.0039 0.01 0.0094
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0585 0.288 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0237 0.0462
Echinococcus granulosus lamin dm0 0.0033 0.0069 0.0134
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0039 0.01 0.01
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0125 0.0244
Treponema pallidum sodium- and chloride- dependent transporter 0.0301 0.1433 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0154 0.03
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0154 0.0346
Brugia malayi mbt repeat family protein 0.0058 0.0196 0.0196
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0051 0.0163 0.0317
Schistosoma mansoni alpha-glucosidase 0.0169 0.0765 0.1719
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0051 0.0163 0.0317
Schistosoma mansoni hypothetical protein 0.0041 0.0113 0.0253
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.1984 1 1
Loa Loa (eye worm) serotonin transporter b 0.0301 0.1433 0.1433
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0051 0.0163 0.0317
Loa Loa (eye worm) MBCTL1 0.0066 0.0237 0.0237
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0585 0.288 0.288
Loa Loa (eye worm) hypothetical protein 0.0306 0.1458 0.1458
Plasmodium vivax SET domain protein, putative 0.0031 0.0062 0.0174
Loa Loa (eye worm) hypothetical protein 0.0049 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0021 0.0012 0.0012
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0125 0.0025
Mycobacterium leprae Probable lipase LipE 0.0039 0.01 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0049 0.0042
Echinococcus multilocularis muscleblind protein 1 0.0306 0.1458 0.2843
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0049 0.0153 0.0298
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0153 0.0343
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0196 0.0441
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0051 0.0163 0.0317
Entamoeba histolytica kinesin, putative 0.0133 0.0582 0.0536
Echinococcus granulosus microtubule associated protein 2 0.0833 0.4145 0.808
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.1984 1 1
Brugia malayi RNA binding protein 0.0076 0.0292 0.0292
Brugia malayi TAR-binding protein 0.0076 0.0292 0.0292
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0125 0.0225
Loa Loa (eye worm) RNA binding protein 0.0076 0.0292 0.0292
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0051 0.0163 0.0358
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0154 0.0154
Mycobacterium ulcerans hypothetical protein 0.0039 0.01 0.0089
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0125 0.0025
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0585 0.288 0.2808
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0051 0.0163 0.0366
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.1058 0.2063
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.0049 0.0037
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0292 0.0657
Loa Loa (eye worm) hypothetical protein 0.0051 0.0163 0.0163
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0125 0.0311
Toxoplasma gondii ABC1 family protein 0.0039 0.01 0.0137
Mycobacterium tuberculosis Conserved protein 0.0039 0.01 0.0094
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.01 0.0223
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0905 0.0905
Echinococcus granulosus geminin 0.0205 0.0945 0.1842
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0051 0.0163 0.0163
Echinococcus multilocularis muscleblind protein 0.0306 0.1458 0.2843
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.01 0.0223
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0051 0.0163 0.0366
Loa Loa (eye worm) hypothetical protein 0.006 0.0209 0.0209
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0051 0.0163 0.0366
Brugia malayi beta-lactamase 0.0039 0.01 0.01
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0051 0.0163 0.0366

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 18.526 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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 (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 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
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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.