Detailed information for compound 1472458

Basic information

Technical information
  • TDR Targets ID: 1472458
  • Name: N-[5-[(3,4-dichlorophenyl)methylsulfanyl]-1,3 ,4-thiadiazol-2-yl]-2-(7H-purin-6-ylsulfanyl) acetamide
  • MW: 484.406 | Formula: C16H11Cl2N7OS3
  • H donors: 2 H acceptors: 6 LogP: 3.94 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nnc(s1)SCc1ccc(c(c1)Cl)Cl)CSc1[nH]cnc2c1ncn2
  • InChi: 1S/C16H11Cl2N7OS3/c17-9-2-1-8(3-10(9)18)4-28-16-25-24-15(29-16)23-11(26)5-27-14-12-13(20-6-19-12)21-7-22-14/h1-3,6-7H,4-5H2,(H,23,24,26)(H,19,20,21,22)
  • InChiKey: LDHUEKPRJPAVQW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-[(3,4-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-(7H-purin-6-ylthio)acetamide
  • N-[5-[(3,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-(7H-purin-6-ylthio)acetamide
  • N-[5-[(3,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(7H-purin-6-ylsulfanyl)ethanamide
  • MLS000703988
  • N-{5-[(3,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(9H-purin-6-ylsulfanyl)acetamide
  • SMR000230121
  • AQ-088/42013753
  • STK137912
  • ZINC08438287

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.003 0.014 0.0652
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 28 0.003 0.014 0.0422
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0563 1
Echinococcus granulosus Two pore potassium channel protein sup 9 0.003 0.014 0.0138
Schistosoma mansoni calcium-activated potassium channel 0.003 0.014 0.0138
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.3325 1
Loa Loa (eye worm) TWK-28 protein 0.003 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3325 1
Plasmodium vivax potassium channel, putative 0.003 0.014 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0027 0.0438
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.003 0.014 1
Echinococcus granulosus potassium channel subfamily K 8 0.003 0.014 0.0138
Toxoplasma gondii ion channel protein 0.003 0.014 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 7 0.003 0.014 0.0422
Echinococcus multilocularis potassium channel subfamily K 0.003 0.014 0.0138
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0563 1
Loa Loa (eye worm) S-phase kinase-associated protein 1A 0.003 0.014 0.014
Onchocerca volvulus 0.003 0.014 0.0652
Plasmodium falciparum potassium channel 0.003 0.014 1
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.003 0.014 0.2111
Echinococcus granulosus potassium channel subfamily K 0.003 0.014 0.0138
Leishmania major hypothetical protein, conserved 0.003 0.014 0.2457
Echinococcus multilocularis lysine specific demethylase 5A 0.0062 0.0504 0.0501
Loa Loa (eye worm) fibroinase 0.0018 0.0002 0.0002
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2114 0.6355
Loa Loa (eye worm) TWK-7 protein 0.003 0.014 0.014
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3325 1
Onchocerca volvulus 0.003 0.014 0.0652
Onchocerca volvulus 0.003 0.014 0.0652
Trypanosoma cruzi cruzipain precursor, putative 0.0067 0.0563 1
Schistosoma mansoni lipoxygenase 0.0058 0.0461 0.0458
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0002 0.0002
Schistosoma mansoni twik family of potassium channels-related 0.003 0.014 0.0138
Schistosoma mansoni twik family of potassium channels-related 0.003 0.014 0.0138
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3325 1
Brugia malayi Twik (KCNK-like) family of potasium channels, alpha subunit 40 0.003 0.014 0.0422
Brugia malayi Cathepsin L-like precursor 0.0018 0.0002 0.0007
Schistosoma mansoni lamin 0.0033 0.0171 0.0168
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0062 0.0504 0.0501
Echinococcus multilocularis twik family of potassium channels 0.003 0.014 0.0138
Leishmania major hypothetical protein, conserved 0.003 0.014 0.2457
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39A 0.003 0.014 0.0422
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2114 0.6355
Onchocerca volvulus 0.003 0.014 0.0652
Schistosoma mansoni jumonji domain containing protein 0.0062 0.0504 0.0501
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 12 0.003 0.014 0.0422
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.003 0.014 0.0422
Schistosoma mansoni loxhd1 0.0021 0.0038 0.0035
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0171 0.0171
Brugia malayi Cathepsin L-like precursor 0.0018 0.0002 0.0007
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.003 0.014 1
Echinococcus multilocularis musashi 0.0033 0.0171 0.0168
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.003 0.014 0.0422
Brugia malayi hypothetical protein 0.003 0.014 0.0422
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0027 0.0025
Echinococcus multilocularis potassium channel subfamily K 8 0.003 0.014 0.0138
Echinococcus multilocularis TWiK family of potassium channels protein 7 0.003 0.014 0.0138
Brugia malayi jmjC domain containing protein 0.0062 0.0504 0.1515
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.003 0.014 0.2457
Leishmania major calcium/potassium channel (CAKC), putative 0.003 0.014 0.2457
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Schistosoma mansoni hypothetical protein 0.0021 0.0038 0.0035
Schistosoma mansoni rab6-interacting 0.0021 0.0038 0.0035
Trypanosoma cruzi calcium-activated potassium channel, putative 0.003 0.014 0.2457
Schistosoma mansoni twik family of potassium channels-related 0.003 0.014 0.0138
Echinococcus granulosus TWiK family of potassium channels protein 7 0.003 0.014 0.0138
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.003 0.014 0.014
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0038 0.0035
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0171 0.0171
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2114 0.6355
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0563 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0171 0.0514
Brugia malayi hypothetical protein 0.0021 0.0038 0.0114
Schistosoma mansoni polycystin 1-related 0.0021 0.0038 0.0035
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2114 0.6355
Brugia malayi Cathepsin L-like precursor 0.0018 0.0002 0.0007
Schistosoma mansoni calcium-activated potassium channel 0.0903 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.014 0.2457
Echinococcus multilocularis calcium activated potassium channel variant 0.003 0.014 0.0138
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Echinococcus multilocularis potassium channel subfamily K 8 0.003 0.014 0.0138
Brugia malayi hypothetical protein 0.0021 0.0038 0.0114
Schistosoma mansoni twik family of potassium channels-related 0.003 0.014 0.0138
Echinococcus granulosus lamin dm0 0.0033 0.0171 0.0168
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0563 1
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Schistosoma mansoni calcium-activated potassium channel 0.003 0.014 0.0138
Echinococcus multilocularis RUN 0.0021 0.0038 0.0035
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0027 0.1784
Onchocerca volvulus 0.0033 0.0171 0.0797
Onchocerca volvulus 0.0033 0.0171 0.0797
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0027 0.0438
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.003 0.014 0.2457
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Echinococcus multilocularis twik family of potassium channels 0.003 0.014 0.0138
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.003 0.014 0.0138
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0038 0.0035
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 24 0.003 0.014 0.0422
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Echinococcus granulosus twik family of potassium channels 0.003 0.014 0.0138
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.0342 0.0342
Mycobacterium ulcerans transmembrane cation transporter 0.003 0.014 1
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0002 0.0007
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0058 0.0461 0.0458
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.003 0.014 0.0415
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39B 0.003 0.014 0.0422
Onchocerca volvulus 0.003 0.014 0.0652
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0062 0.0504 0.0501
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2238 0.6729
Loa Loa (eye worm) hypothetical protein 0.029 0.3083 0.3083
Leishmania major potassium channel subunit-like protein 0.003 0.014 0.2457
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.003 0.014 0.014
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3325 1
Schistosoma mansoni ap endonuclease 0.002 0.0027 0.0025
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog 0.003 0.014 0.0422
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 5 0.003 0.014 0.0422
Brugia malayi jmjC domain containing protein 0.0062 0.0504 0.1515
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0038 0.0035
Trypanosoma cruzi calcium-activated potassium channel, putative 0.003 0.014 0.2457
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.2114 1
Echinococcus granulosus potassium channel subfamily K 8 0.003 0.014 0.0138
Loa Loa (eye worm) hypothetical protein 0.0021 0.0038 0.0038
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.014 0.2457
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.003 0.014 0.0415
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0027 0.0074
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Schistosoma mansoni hypothetical protein 0.003 0.014 0.0138
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.0504 0.0501
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0038 0.2571
Onchocerca volvulus 0.003 0.014 0.0652
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2114 0.6355
Echinococcus granulosus lamin 0.0033 0.0171 0.0168
Plasmodium vivax potassium channel, putative 0.003 0.014 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.003 0.014 0.0415
Trypanosoma brucei calcium-activated potassium channel, putative 0.003 0.014 0.2111
Schistosoma mansoni ap endonuclease 0.002 0.0027 0.0025
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog 0.003 0.014 0.0422
Onchocerca volvulus 0.0021 0.0038 0.0168
Toxoplasma gondii ion channel protein 0.003 0.014 1
Schistosoma mansoni lamin 0.0033 0.0171 0.0168
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Brugia malayi Doublecortin family protein 0.0021 0.0038 0.0114
Loa Loa (eye worm) hypothetical protein 0.0032 0.0164 0.0164
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0027 0.1784
Brugia malayi hypothetical protein 0.003 0.014 0.0422
Leishmania major ion transport protein-like protein 0.003 0.014 0.2457
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3325 1
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Leishmania major cathepsin L-like protease 0.0067 0.0563 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.003 0.014 0.0415
Brugia malayi Cathepsin L-like precursor 0.0018 0.0002 0.0007
Plasmodium falciparum potassium channel 0.003 0.014 1
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Echinococcus granulosus intermediate filament protein 0.0033 0.0171 0.0168
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0563 1
Loa Loa (eye worm) uncoordinated protein 58 0.003 0.014 0.014
Brugia malayi intermediate filament protein 0.0033 0.0171 0.0514
Trypanosoma cruzi ion transport protein, putative 0.003 0.014 0.2457
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0021 0.0038 0.0038
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0038 0.0035
Echinococcus granulosus twik family of potassium channels 0.003 0.014 0.0138
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.0504 0.0501
Schistosoma mansoni twik family of potassium channels-related 0.003 0.014 0.0138
Loa Loa (eye worm) hypothetical protein 0.0307 0.3271 0.3271
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.9215 0.9214
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0038 0.0035
Schistosoma mansoni intermediate filament proteins 0.0033 0.0171 0.0168
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0504 0.0504
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0027 0.0025
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0027 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.0563 1
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Toxoplasma gondii exonuclease III APE 0.002 0.0027 0.1784
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Echinococcus granulosus microtubule associated protein 2 0.0833 0.9215 0.9214
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0027 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0058 0.0461 0.0458
Brugia malayi Cytochrome P450 family protein 0.0048 0.0342 0.1028
Echinococcus granulosus lysine specific demethylase 5A 0.0062 0.0504 0.0501
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0276 0.2915 0.2915
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0038 0.2571
Trypanosoma cruzi ion transport protein, putative 0.003 0.014 0.2457
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 17 0.003 0.014 0.0422
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0563 1
Echinococcus multilocularis lamin 0.0033 0.0171 0.0168
Echinococcus multilocularis lamin dm0 0.0033 0.0171 0.0168
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0563 1
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0563 1
Schistosoma mansoni rab6-interacting 0.0021 0.0038 0.0035
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2238 0.6729
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0061 0.0497 0.8824
Schistosoma mansoni twik family of potassium channels-related 0.003 0.014 0.0138
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.0563 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0038 0.0035
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Echinococcus granulosus calcium activated potassium channel variant 0.003 0.014 0.0138
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0002 0.0002
Echinococcus granulosus RUN 0.0021 0.0038 0.0035
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0563 1
Loa Loa (eye worm) cysteine protease 0.0018 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Onchocerca volvulus 0.0021 0.0038 0.0168
Loa Loa (eye worm) hypothetical protein 0.0903 1 1
Schistosoma mansoni calcium-activated potassium channel 0.0583 0.6383 0.6382
Brugia malayi Cathepsin L-like precursor 0.0018 0.0002 0.0007
Schistosoma mansoni hypothetical protein 0.0903 1 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.04 0.7098
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 21 0.003 0.014 0.0422
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.3325 0.3325
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Mycobacterium ulcerans ion transport protein 0.003 0.014 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3325 1
Loa Loa (eye worm) ctsf protein 0.0018 0.0002 0.0002
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0027 0.0438
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0027 0.0074
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0563 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.9215 0.9214
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.0563 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.003 0.014 0.0415
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2114 0.6355
Leishmania major cathepsin L-like protease 0.0067 0.0563 1
Echinococcus multilocularis small conductance calcium activated potassium 0.0903 1 1
Leishmania major cathepsin L-like protease 0.0067 0.0563 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 35 0.003 0.014 0.0422
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.0563 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0033 0.0171 0.0171
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Schistosoma mansoni twik family of potassium channels-related 0.003 0.014 0.0138
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 13 0.003 0.014 0.0422
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0027 0.0081
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2114 0.6355
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0027 0.0027
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0027 0.1784
Schistosoma mansoni twik family of potassium channels-related 0.003 0.014 0.0138
Giardia lamblia Hypothetical protein 0.003 0.014 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0002 0.0007
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.014
Onchocerca volvulus 0.003 0.014 0.0652
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 45 0.003 0.014 0.0422
Schistosoma mansoni lipoxygenase 0.0021 0.0038 0.0035

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 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) = 17.7828 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) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (binding) = 22.3872 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) 25.929 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) 31.6228 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (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) 35.4813 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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.
 
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.

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