Detailed information for compound 1217993

Basic information

Technical information
  • TDR Targets ID: 1217993
  • Name: 2-methoxyethyl 4-amino-3-(2-methoxyethyl)-2-s ulfanylidene-1,3-thiazole-5-carboxylate
  • MW: 292.375 | Formula: C10H16N2O4S2
  • H donors: 1 H acceptors: 1 LogP: 0.89 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCOC(=O)c1sc(=S)n(c1N)CCOC
  • InChi: 1S/C10H16N2O4S2/c1-14-4-3-12-8(11)7(18-10(12)17)9(13)16-6-5-15-2/h3-6,11H2,1-2H3
  • InChiKey: DWFOHUAXYUCJHH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methoxyethyl 4-amino-3-(2-methoxyethyl)-2-thioxo-thiazole-5-carboxylate
  • 4-amino-3-(2-methoxyethyl)-2-thioxo-5-thiazolecarboxylic acid 2-methoxyethyl ester
  • 4-amino-3-(2-methoxyethyl)-2-thioxo-thiazole-5-carboxylic acid 2-methoxyethyl ester
  • T0520-2107
  • ZINC03287199
  • MLS000565318
  • SMR000152486

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens X-linked inhibitor of apoptosis, E3 ubiquitin protein ligase Starlite/ChEMBL No references
Caenorhabditis elegans Protein GLD-1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1) Protein Rev Starlite/ChEMBL No references
Homo sapiens plectin Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum calpain-like cysteine peptidase Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma cruzi kinetoplast DNA-associated protein, putative Get druggable targets OG5_127704 All targets in OG5_127704
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127704 All targets in OG5_127704
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127704 All targets in OG5_127704
Leishmania infantum calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania donovani calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Bullous pemphigoid antigen 1, isoforms 6/7, putative Get druggable targets OG5_127704 All targets in OG5_127704
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127704 All targets in OG5_127704
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma japonicum Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5, putative Get druggable targets OG5_127704 All targets in OG5_127704
Brugia malayi VAB-10A protein Get druggable targets OG5_127704 All targets in OG5_127704
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense calpain, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma cruzi calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus Spectrin alpha actinin Get druggable targets OG5_127704 All targets in OG5_127704
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain, putative Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum IPR001101,Plectin repeat,domain-containing Get druggable targets OG5_127704 All targets in OG5_127704
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K10382 dystonin, putative Get druggable targets OG5_127704 All targets in OG5_127704
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) tumor suppressor Get druggable targets OG5_170288 All targets in OG5_170288
Leishmania mexicana calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma cruzi calpain cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania infantum cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei variant surface glycoprotein (VSG), putative Get druggable targets OG5_130635 All targets in OG5_130635
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Brugia malayi Growth-Arrest-Specific Protein 2 Domain containing protein Get druggable targets OG5_127704 All targets in OG5_127704
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei hypothetical protein Get druggable targets OG5_130635 All targets in OG5_130635
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma japonicum expressed protein Get druggable targets OG5_127704 All targets in OG5_127704
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Brugia malayi tumor suppressor. Get druggable targets OG5_170288 All targets in OG5_170288
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania mexicana calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma cruzi calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) spectraplakin Get druggable targets OG5_127704 All targets in OG5_127704
Trypanosoma brucei gambiense calpain-like cysteine peptidase, putative,antigen, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei gambiense calpain-like protein, putative Get druggable targets OG5_130635 All targets in OG5_130635
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma japonicum Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5, putative Get druggable targets OG5_127704 All targets in OG5_127704
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum expressed protein Get druggable targets OG5_127704 All targets in OG5_127704
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis Spectrin alpha actinin Get druggable targets OG5_127704 All targets in OG5_127704
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania mexicana calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei calpain-like protein, putative Get druggable targets OG5_130635 All targets in OG5_130635
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Leishmania infantum hypothetical protein, conserved Protein Rev   116 aa 95 aa 26.3 %
Leishmania donovani hypothetical protein, conserved Protein Rev   116 aa 95 aa 26.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0043 0.0238 0.0528
Brugia malayi VAB-10A protein 0.0043 0.0238 0.0528
Loa Loa (eye worm) hypothetical protein 0.0024 0.0006 0.0014
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0 0.5
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0388 0.0861
Schistosoma mansoni hypothetical protein 0.0033 0.0118 0.0118
Loa Loa (eye worm) MBCTL1 0.0055 0.0388 0.0861
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0135 0.1381 1
Echinococcus multilocularis muscleblind protein 0.018 0.1939 0.1939
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0065 0.0519 0.0519
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0618 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0 0.5
Echinococcus multilocularis protein quaking 0.0033 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0033 0.0118 0.0262
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1381 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0388 0.0388
Schistosoma mansoni hypothetical protein 0.0034 0.0136 0.0136
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0135 0.1381 1
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0306 0.0306
Schistosoma mansoni hypothetical protein 0.0292 0.332 0.332
Brugia malayi hypothetical protein 0.0024 0.0006 0.0014
Echinococcus multilocularis Spectrin alpha actinin 0.0043 0.0238 0.0238
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0065 0.0519 0.0519
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0618 0.0618
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1381 1
Brugia malayi tumor suppressor. 0.0388 0.4507 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0388 0.0388
Loa Loa (eye worm) hypothetical protein 0.018 0.1939 0.4303
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0006 0.5
Echinococcus multilocularis RUN 0.0024 0.0006 0.0006
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1381 1
Echinococcus multilocularis inhibitor of apoptosis protein 0.0065 0.0519 0.0519
Schistosoma mansoni hypothetical protein 0.0065 0.0519 0.0519
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.1471 0.1471
Brugia malayi Temporarily assigned gene name protein 44 0.0033 0.0118 0.0262
Loa Loa (eye worm) hypothetical protein 0.0065 0.0519 0.1152
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0006 0.0014
Schistosoma mansoni loxhd1 0.0024 0.0006 0.0006
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0118 0.0118
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0306 0.0306
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0388 0.0388
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0006 0.0006
Schistosoma mansoni lipoxygenase 0.01 0.0941 0.0941
Loa Loa (eye worm) hypothetical protein 0.0065 0.0519 0.1152
Loa Loa (eye worm) hypothetical protein 0.018 0.1939 0.4303
Schistosoma mansoni rab6-interacting 0.0024 0.0006 0.0006
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0333 0.0738
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0048 0.0306 0.0678
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0306 0.0306
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0618 1
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0306 0.0678
Echinococcus granulosus hypothetical protein 0.0033 0.0118 0.0118
Brugia malayi hypothetical protein 0.0024 0.0006 0.0014
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0065 0.0519 0.1152
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0306 0.0306
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Giardia lamblia DINP protein human, muc B family 0.0023 0 0.5
Trypanosoma brucei calpain, putative 0.0135 0.1381 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0189 0.2051 0.2051
Schistosoma mansoni hypothetical protein 0.0043 0.0238 0.0238
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0306 0.0306
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0618 1
Trypanosoma cruzi kinetoplast DNA-associated protein, putative 0.0043 0.0238 0.1725
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0006 0.0006
Echinococcus granulosus RUN 0.0024 0.0006 0.0006
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0065 0.0519 0.1152
Brugia malayi Growth-Arrest-Specific Protein 2 Domain containing protein 0.0043 0.0238 0.0528
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.1471 0.1471
Loa Loa (eye worm) hypothetical protein 0.0034 0.0136 0.0302
Onchocerca volvulus 0.0065 0.0519 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1381 1
Brugia malayi Muscleblind-like protein 0.018 0.1939 0.4303
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0065 0.0519 0.0519
Schistosoma mansoni hypothetical protein 0.0043 0.0238 0.0238
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0618 0.0618
Brugia malayi hypothetical protein 0.0033 0.0118 0.0262
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0135 0.1381 1
Onchocerca volvulus 0.0048 0.0306 0.5839
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0618 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0333 0.0738
Schistosoma mansoni rab6-interacting 0.0024 0.0006 0.0006
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1381 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0006 0.0006
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0618 0.0618
Echinococcus granulosus Spectrin alpha actinin 0.0043 0.0238 0.0238
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0306 0.0306
Schistosoma mansoni lipoxygenase 0.0142 0.1471 0.1471
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0006 0.5
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1381 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0306 0.5839
Brugia malayi mbt repeat family protein 0.0048 0.0306 0.0678
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0618 0.0618
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0333 0.0738
Trypanosoma brucei calpain-like protein, putative 0.0135 0.1381 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0388 0.0388
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1381 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0388 0.0388
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0136 0.0302
Echinococcus granulosus protein quaking 0.0033 0.0118 0.0118
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.1381 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0388 0.0861
Trypanosoma brucei hypothetical protein 0.0135 0.1381 1
Schistosoma mansoni hypothetical protein 0.0024 0.0006 0.0006
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0333 0.0738
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0006 0.0006
Trypanosoma brucei variant surface glycoprotein (VSG), putative 0.0135 0.1381 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0006 0.0006
Echinococcus multilocularis muscleblind protein 1 0.018 0.1939 0.1939
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0618 1
Loa Loa (eye worm) spectraplakin 0.0043 0.0238 0.0528
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0618 0.4473
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1381 1
Brugia malayi mbt repeat family protein 0.0048 0.0306 0.0678
Loa Loa (eye worm) hypothetical protein 0.0024 0.0006 0.0014
Echinococcus granulosus muscleblind protein 0.018 0.1939 0.1939
Schistosoma mansoni inhibitor of apoptosis protein 0.0065 0.0519 0.0519
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Loa Loa (eye worm) tumor suppressor 0.0388 0.4507 1
Echinococcus granulosus inhibitor of apoptosis protein 0.0065 0.0519 0.0519
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0189 0.2051 0.2051
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0006 0.0006
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0135 0.1381 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0135 0.1381 1
Brugia malayi Doublecortin family protein 0.0024 0.0006 0.0014
Onchocerca volvulus Deterin homolog 0.0065 0.0519 1
Schistosoma mansoni polycystin 1-related 0.0024 0.0006 0.0006

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.6989385 uM PUBCHEM_BIOASSAY: Counter Screen using XIAP-Bir3 for Chemical Antagonists of Bir1/2 domains of IAP-family anti-apoptotic proteins. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1018, AID1449, AID1514, AID1638, AID1749, AID1750, AID488957, AID488963] ChEMBL. No reference
IC50 (binding) = 5.308 uM PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of GLD-1 protein - TGE RNA interaction. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2280, AID2290, AID2459] ChEMBL. No reference
IC50 (binding) = 8.072 uM PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the binding of Siah-1 and a peptide ligand via a fluorescence polarization assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1826, AID2127, AID2141] ChEMBL. No reference
IC50 (binding) = 10.582 uM PUBCHEM_BIOASSAY: HTS TR-FRET-based dose response confirmatory assay for Siah-1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1817, AID1826] ChEMBL. No reference
IC50 (binding) = 11.141 um PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of the HIV Rev protein-RRE RNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2290 (Summary (gld-1 inhibitors)), 2280 (Primary screen (gld-1 inhibitors in singlicate))] ChEMBL. No reference
IC50 (binding) = 15.282 uM PUBCHEM_BIOASSAY: HTS fluorescence polarization-based dose response confirmatory screen for the Siah-1 primary assay utilizing an alternative fluorophore, fluorescein-labeled plectin. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1817, AID1826] ChEMBL. No reference
Potency (binding) 8.9125 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 15.8489 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 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) = 28.1171 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 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) = 28.1838 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6294 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen 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 ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Confirmation qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1) - Round 2 Cherry Picks. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2367, AID593, AID594] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference

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

No literature references available for this target.

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