Detailed information for compound 1249803

Basic information

Technical information
  • TDR Targets ID: 1249803
  • Name: N-(3,5-dichlorophenyl)-2-[[4-methyl-5-[4-meth yl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-5 -yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
  • MW: 495.405 | Formula: C19H16Cl2N6O2S2
  • H donors: 1 H acceptors: 5 LogP: 4.1 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(n1C)c1sc(nc1C)c1noc(c1)C
  • InChi: 1S/C19H16Cl2N6O2S2/c1-9-4-14(26-29-9)18-22-10(2)16(31-18)17-24-25-19(27(17)3)30-8-15(28)23-13-6-11(20)5-12(21)7-13/h4-7H,8H2,1-3H3,(H,23,28)
  • InChiKey: TUORKXFFOJJSQV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3,5-dichlorophenyl)-2-[[4-methyl-5-[4-methyl-2-(5-methylisoxazol-3-yl)thiazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
  • N-(3,5-dichlorophenyl)-2-[[4-methyl-5-[4-methyl-2-(5-methyl-3-isoxazolyl)-5-thiazolyl]-1,2,4-triazol-3-yl]thio]acetamide
  • N-(3,5-dichlorophenyl)-2-[[4-methyl-5-[4-methyl-2-(5-methylisoxazol-3-yl)thiazol-5-yl]-1,2,4-triazol-3-yl]thio]acetamide
  • N-(3,5-dichlorophenyl)-2-[[4-methyl-5-[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide
  • MLS000834976
  • N1-(3,5-dichlorophenyl)-2-({4-methyl-5-[4-methyl-2-(5-methylisoxazol-3-yl)-1,3-thiazol-5-yl]-4H-1,2,4-triazol-3-yl}thio)acetamide
  • SMR000461592

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Brugia malayi jmjC domain containing protein 0.0073 0.0683 0.11
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0683 0.11
Loa Loa (eye worm) MBCTL1 0.0055 0.0459 0.0727
Brugia malayi Cyclin, N-terminal domain containing protein 0.0335 0.3889 0.6425
Echinococcus multilocularis cyclin dependent kinase 1 0.0088 0.0865 0.0865
Trichomonas vaginalis cyclins, putative 0.0209 0.2354 0.7502
Echinococcus granulosus cyclins 0.0026 0.011 0.011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0435 0.0435
Entamoeba histolytica hypothetical protein 0.0026 0.011 0.0379
Echinococcus granulosus cyclin b3 0.0108 0.1117 0.1117
Schistosoma mansoni hypothetical protein 0.0165 0.1817 0.1817
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0019 0.0022 0.0002
Brugia malayi Bromodomain containing protein 0.0048 0.0379 0.0594
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0378 0.0378
Echinococcus granulosus cyclins 0.0108 0.1117 0.1117
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus granulosus cyclins 0.0108 0.1117 0.1117
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0022 0.0022
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus granulosus cyclin G2 0.0026 0.011 0.011
Trypanosoma cruzi mitotic cyclin, putative 0.0026 0.011 0.0379
Plasmodium vivax SET domain protein, putative 0.0034 0.0211 0.2243
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Giardia lamblia Kinase, CMGC CDK 0.0088 0.0865 0.3616
Schistosoma mansoni bromodomain containing protein 0.0073 0.0687 0.0687
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0022 0.5
Leishmania major mitotic cyclin, putative 0.0026 0.011 0.0379
Brugia malayi intermediate filament protein 0.0031 0.017 0.0247
Trypanosoma cruzi cyclin 9, putative 0.0026 0.011 0.0379
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0022 0.0022
Entamoeba histolytica bromodomain-containing protein 0.0066 0.0604 0.2497
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0683 0.0683
Schistosoma mansoni cyclin d 0.0026 0.011 0.011
Brugia malayi Bromodomain containing protein 0.0085 0.0832 0.1346
Loa Loa (eye worm) hypothetical protein 0.003 0.0163 0.0235
Schistosoma mansoni Cyclin fold protein 0.0026 0.011 0.011
Echinococcus granulosus cyclin A3 4 0.0026 0.011 0.011
Plasmodium falciparum cyclin 0.0108 0.1117 1
Onchocerca volvulus 0.0066 0.0604 0.1636
Toxoplasma gondii bromodomain-containing protein 0.0066 0.0604 0.6907
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0378 0.0378
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0378 0.0378
Toxoplasma gondii cyclin domain protein, cyclin H family protein 0.0026 0.011 0.1047
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0435 0.0435
Echinococcus multilocularis Cyclin L1 0.0026 0.011 0.011
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0022 0.5
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0209 0.2354 1
Trichomonas vaginalis CMGC family protein kinase 0.0088 0.0865 0.2712
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.0045 0.0045
Echinococcus multilocularis Bromodomain containing protein 0.0066 0.0604 0.0604
Loa Loa (eye worm) hypothetical protein 0.0048 0.0378 0.0592
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0088 0.0865 0.1401
Echinococcus multilocularis cyclin dependent kinase 1 0.0088 0.0865 0.0865
Trypanosoma brucei cyclin dependent kinase-binding protein, putative 0.0026 0.011 0.0379
Echinococcus granulosus geminin 0.0165 0.1817 0.1817
Echinococcus granulosus tumor protein p63 0.034 0.3956 0.3956
Onchocerca volvulus 0.0209 0.2354 0.7429
Plasmodium falciparum protein kinase 5 0.0088 0.0865 0.7702
Trichomonas vaginalis cyclin B, putative 0.0108 0.1117 0.3522
Trichomonas vaginalis bromodomain-containing protein, putative 0.0092 0.0913 0.2867
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0195 0.0195
Trichomonas vaginalis cyclin A, putative 0.0026 0.011 0.0284
Echinococcus granulosus cyclin B3 1 0.0108 0.1117 0.1117
Brugia malayi PHD-finger family protein 0.0035 0.0214 0.032
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0022 0.0001
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0088 0.0865 0.3616
Plasmodium falciparum cyclin 1 0.0026 0.011 0.0806
Trypanosoma cruzi cdc2-related kinase 1 0.0088 0.0865 0.3616
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0378 0.0378
Schistosoma mansoni cyclin G 0.0026 0.011 0.011
Brugia malayi mbt repeat family protein 0.0048 0.0378 0.0592
Plasmodium vivax cyclin homologue, putative 0.0026 0.011 0.1047
Entamoeba histolytica cyclin, domain containing protein 0.0026 0.011 0.0379
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Trichomonas vaginalis cyclin A, putative 0.0209 0.2354 0.7502
Brugia malayi Cyclin, N-terminal domain containing protein 0.0026 0.011 0.0147
Trypanosoma brucei cyclin 3 0.0026 0.011 0.0379
Loa Loa (eye worm) cyclin C 0.0026 0.011 0.0147
Brugia malayi Cyclin, N-terminal domain containing protein 0.0026 0.011 0.0147
Giardia lamblia Hypothetical protein 0.0108 0.1117 0.4695
Schistosoma mansoni lamin 0.0031 0.017 0.017
Leishmania major cyclin 0.0209 0.2354 1
Echinococcus multilocularis zinc finger protein 0.0029 0.0148 0.0148
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0459 0.0727
Schistosoma mansoni cyclin B 0.0209 0.2354 0.2354
Schistosoma mansoni hypothetical protein 0.0165 0.1817 0.1817
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0435 0.0435
Echinococcus multilocularis cyclins 0.0108 0.1117 0.1117
Loa Loa (eye worm) hypothetical protein 0.0052 0.0433 0.0683
Echinococcus multilocularis bromodomain containing 2 0.0146 0.1581 0.1581
Brugia malayi Cyclin, N-terminal domain containing protein 0.0026 0.011 0.0147
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.0913 0.2867
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.1117 0.3522
Trypanosoma cruzi cyclin, putative 0.0209 0.2354 1
Entamoeba histolytica cyclin, putative 0.0108 0.1117 0.4695
Schistosoma mansoni hypothetical protein 0.0104 0.1065 0.1065
Trichomonas vaginalis cyclins, putative 0.0108 0.1117 0.3522
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0022 0.0022
Schistosoma mansoni lamin 0.0031 0.017 0.017
Schistosoma mansoni cyclins 0.0108 0.1117 0.1117
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0019 0.0022 0.0001
Entamoeba histolytica bromodomain-containing protein 0.0066 0.0604 0.2497
Trichomonas vaginalis cyclins, putative 0.0209 0.2354 0.7502
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0044 0.0037
Onchocerca volvulus 0.0034 0.0211 0.0334
Trichomonas vaginalis conserved hypothetical protein 0.008 0.0767 0.2397
Echinococcus multilocularis lamin 0.0031 0.017 0.017
Trichomonas vaginalis cyclins, putative 0.0026 0.011 0.0284
Trichomonas vaginalis cyclins, putative 0.0127 0.1347 0.4264
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0335 0.3889 0.3889
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.0421 0.0421
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0378 0.0378
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Trichomonas vaginalis cyclin B, putative 0.0026 0.011 0.0284
Echinococcus multilocularis geminin 0.0165 0.1817 0.1817
Plasmodium falciparum cyclin dependent kinase binding protein, putative 0.0026 0.011 0.0806
Echinococcus multilocularis neuropeptide receptor A26 0.0562 0.6674 0.6674
Schistosoma mansoni hypothetical protein 0.0026 0.011 0.011
Trichomonas vaginalis bromodomain-containing protein, putative 0.0092 0.0913 0.2867
Plasmodium vivax JmjC domain containing protein 0.0019 0.0022 0.0002
Echinococcus granulosus cyclins 0.0108 0.1117 0.1117
Giardia lamblia Cyclin B-like protein 0.0026 0.011 0.0379
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.066 0.066
Trypanosoma brucei mitotic cyclin 6 0.0209 0.2354 1
Schistosoma mansoni cellular tumor antigen P53 0.005 0.04 0.04
Onchocerca volvulus 0.0104 0.1065 0.3161
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.011 0.0284
Giardia lamblia Hypothetical protein 0.0026 0.011 0.0379
Loa Loa (eye worm) hypothetical protein 0.0146 0.1581 0.2591
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0088 0.0865 0.1401
Brugia malayi jmjC domain containing protein 0.0071 0.066 0.106
Loa Loa (eye worm) hypothetical protein 0.0039 0.0263 0.0401
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Echinococcus granulosus survival motor neuron protein 1 0.051 0.6041 0.6041
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0233 0.0233
Echinococcus granulosus cyclin dependent kinase 0.0088 0.0865 0.0865
Echinococcus multilocularis cyclin G2 0.0026 0.011 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.011 0.0284
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.0683 0.0683
Loa Loa (eye worm) hypothetical protein 0.0031 0.017 0.0247
Brugia malayi Bromodomain containing protein 0.0146 0.1581 0.2591
Schistosoma mansoni ap endonuclease 0.0019 0.0022 0.0022
Onchocerca volvulus 0.0273 0.3131 1
Loa Loa (eye worm) CYL-1 protein 0.0026 0.011 0.0147
Trichomonas vaginalis bromodomain-containing protein, putative 0.0146 0.1581 0.5016
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0211 0.0211
Echinococcus multilocularis survival motor neuron protein 1 0.051 0.6041 0.6041
Trichomonas vaginalis bromodomain-containing protein 4, brd4, putative 0.0066 0.0604 0.1873
Onchocerca volvulus 0.0048 0.0378 0.0887
Plasmodium falciparum JmjC domain-containing protein, putative 0.0019 0.0022 0.0002
Trichomonas vaginalis cyclins, putative 0.0026 0.011 0.0284
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0459 0.0459
Echinococcus multilocularis lamin dm0 0.0031 0.017 0.017
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0026 0.011 0.0806
Plasmodium vivax protein kinase Crk2 0.0088 0.0865 1
Loa Loa (eye worm) hypothetical protein 0.051 0.6041 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.1027 0.1671
Echinococcus multilocularis cyclin y 0.0026 0.011 0.011
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Trichomonas vaginalis cyclin D, putative 0.0026 0.011 0.0284
Echinococcus multilocularis cyclin 0.0026 0.011 0.011
Schistosoma mansoni cyclin B3 0.0335 0.3889 0.3889
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.066 0.066
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0022 0.0022
Schistosoma mansoni bromodomain-containing protein 3 brd3 0.0146 0.1581 0.1581
Echinococcus multilocularis cyclin dependent kinase 5 0.0088 0.0865 0.0865
Echinococcus granulosus histone lysine methyltransferase setb 0.0052 0.0421 0.0421
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0088 0.0865 0.0865
Echinococcus multilocularis cyclin y 0.0026 0.011 0.011
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Echinococcus multilocularis musashi 0.0031 0.017 0.017
Entamoeba histolytica cyclin family protein 0.0108 0.1117 0.4695
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Echinococcus multilocularis cyclins 0.0108 0.1117 0.1117
Schistosoma mansoni g1/s-specific cyclin C 0.0026 0.011 0.011
Echinococcus granulosus bromodomain containing 2 0.0146 0.1581 0.1581
Toxoplasma gondii cyclin, N-terminal domain-containing protein 0.0026 0.011 0.1047
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0211 0.0211
Trichomonas vaginalis cyclin B, putative 0.0209 0.2354 0.7502
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.0421 0.0421
Trichomonas vaginalis bromodomain-containing protein, putative 0.0092 0.0913 0.2867
Trypanosoma cruzi cyclin 6, putative 0.0209 0.2354 1
Trypanosoma brucei mitotic cyclin 0.0026 0.011 0.0379
Trichomonas vaginalis cyclins, putative 0.0209 0.2354 0.7502
Brugia malayi hypothetical protein 0.051 0.6041 1
Toxoplasma gondii hypothetical protein 0.0026 0.011 0.1047
Giardia lamblia Kinase, putative 0.0066 0.0604 0.2497
Echinococcus multilocularis cyclins 0.0108 0.1117 0.1117
Brugia malayi follicle stimulating hormone receptor 0.0503 0.5947 0.9845
Trichomonas vaginalis set domain proteins, putative 0.0273 0.3131 1
Loa Loa (eye worm) hypothetical protein 0.005 0.04 0.0628
Trichomonas vaginalis cyclin D, putative 0.0108 0.1117 0.3522
Trypanosoma brucei cyclin 9 0.0026 0.011 0.0379
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Trichomonas vaginalis cyclin B, putative 0.0209 0.2354 0.7502
Schistosoma mansoni intermediate filament proteins 0.0031 0.017 0.017
Trichomonas vaginalis CMGC family protein kinase 0.0088 0.0865 0.2712
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0022 0.0022
Schistosoma mansoni serine/threonine protein kinase 0.0088 0.0865 0.0865
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.011 0.0379
Schistosoma mansoni hypothetical protein 0.0021 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0051 0.0409 0.0644
Echinococcus granulosus cyclins 0.0108 0.1117 0.1117
Brugia malayi cyclin fold protein 1 variant b 0.0026 0.011 0.0147
Brugia malayi Pre-SET motif family protein 0.0034 0.0211 0.0314
Trichomonas vaginalis cyclin B3, putative 0.0108 0.1117 0.3522
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0378 0.0592
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Echinococcus granulosus oligomeric golgi complex subunit 3 0.0026 0.011 0.011
Echinococcus granulosus phd:f box containing protein 0.0019 0.0022 0.0022
Echinococcus granulosus cyclin dependent kinase 1 0.0088 0.0865 0.0865
Echinococcus multilocularis cyclin k 0.0026 0.011 0.011
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0211 0.0211
Echinococcus multilocularis cyclins 0.0108 0.1117 0.1117
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.007 0.0643 0.0643
Trypanosoma cruzi cdc2-related kinase 3 0.0088 0.0865 0.3616
Schistosoma mansoni cyclin l 0.0026 0.011 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.011 0.0284
Echinococcus multilocularis cyclin b3 0.0108 0.1117 0.1117
Brugia malayi hypothetical protein 0.0026 0.011 0.0147
Echinococcus granulosus cyclin y 0.0026 0.011 0.011
Echinococcus multilocularis cyclin B 0.0209 0.2354 0.2354
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0066 0.0604 0.1873
Brugia malayi Bromodomain containing protein 0.0146 0.1581 0.2591
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Toxoplasma gondii cyclin dependent kinase binding protein 0.0026 0.011 0.1047
Trypanosoma cruzi CYC2-like cyclin, putative 0.0209 0.2354 1
Entamoeba histolytica cyclin C, putative 0.0026 0.011 0.0379
Echinococcus granulosus cyclin t1 0.0026 0.011 0.011
Entamoeba histolytica bromodomain-containing protein 0.0066 0.0604 0.2497
Entamoeba histolytica cell division protein kinase 2, putative 0.0088 0.0865 0.3616
Echinococcus multilocularis cyclin G2 0.0026 0.011 0.011
Echinococcus multilocularis cyclins 0.0108 0.1117 0.1117
Onchocerca volvulus 0.0031 0.017 0.0199
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0378 0.0378
Brugia malayi hypothetical protein 0.0055 0.0458 0.0725
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0683 0.0683
Trypanosoma cruzi mitotic cyclin, putative 0.0026 0.011 0.0379
Brugia malayi Pre-SET motif family protein 0.024 0.2725 0.4492
Loa Loa (eye worm) hypothetical protein 0.0052 0.0421 0.0664
Loa Loa (eye worm) cyclin domain-containing protein 0.0335 0.3889 0.6425
Plasmodium vivax cyclin dependent kinase binding protein, putative 0.0026 0.011 0.1047
Trypanosoma cruzi cdc2-related kinase 3 0.0088 0.0865 0.3616
Onchocerca volvulus 0.005 0.04 0.0959
Echinococcus granulosus cyclin B 0.0209 0.2354 0.2354
Toxoplasma gondii cyclin 4, putative 0.0026 0.011 0.1047
Schistosoma mansoni survival motor neuron protein 0.0104 0.1065 0.1065
Trichomonas vaginalis cyclin B, putative 0.0209 0.2354 0.7502
Brugia malayi Cyclin, N-terminal domain containing protein 0.0209 0.2354 0.3875
Echinococcus multilocularis cyclin A3 4 0.0026 0.011 0.011
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0088 0.0865 0.3616
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0022 0.0022
Trypanosoma brucei cdc2-related kinase 3 0.0088 0.0865 0.3616
Schistosoma mansoni hypothetical protein 0.0296 0.3412 0.3412
Trichomonas vaginalis cyclin B3, putative 0.0026 0.011 0.0284
Echinococcus multilocularis neuropeptide s receptor 0.0562 0.6674 0.6674
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0088 0.0865 1
Echinococcus granulosus intermediate filament protein 0.0031 0.017 0.017
Schistosoma mansoni cyclin k 0.0026 0.011 0.011
Echinococcus granulosus neuropeptide s receptor 0.0562 0.6674 0.6674
Echinococcus granulosus lamin 0.0031 0.017 0.017
Leishmania major hypothetical protein, conserved 0.0019 0.0022 0.0001
Loa Loa (eye worm) cyclin fold protein 1 variant b 0.0026 0.011 0.0147
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0055 0.0459 0.0727
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0459 0.0459
Trichomonas vaginalis CMGC family protein kinase 0.0088 0.0865 0.2712
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0378 0.0378
Giardia lamblia Hypothetical protein 0.0026 0.011 0.0379
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0335 0.3889 0.3889
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0459 0.0459
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0193 0.2154 0.2154
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Echinococcus multilocularis cdk5 and abl1 enzyme substrate 1 0.0026 0.011 0.011
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0233 0.0233
Trichomonas vaginalis bromodomain-containing protein, putative 0.0146 0.1581 0.5016
Loa Loa (eye worm) cyclin domain-containing protein 0.0026 0.011 0.0147
Echinococcus granulosus cyclin 0.0026 0.011 0.011
Echinococcus multilocularis cyclins 0.0108 0.1117 0.1117
Loa Loa (eye worm) bromodomain containing protein 0.0027 0.0125 0.0171
Trichomonas vaginalis cyclins, putative 0.0209 0.2354 0.7502
Giardia lamblia Cyclin A 0.0108 0.1117 0.4695
Echinococcus granulosus cdk5 and abl1 enzyme substrate 1 0.0026 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0209 0.2354 0.3875
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.017 0.0247
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0022 0.0022
Loa Loa (eye worm) cyclin domain-containing protein 0.0026 0.011 0.0147
Leishmania major mitotic cyclin, putative 0.0026 0.011 0.0379
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0211 0.2243
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0022 0.0022
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0068 0.0068
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0435 0.0435
Echinococcus granulosus cyclin G2 0.0026 0.011 0.011
Entamoeba histolytica cyclin, putative 0.0209 0.2354 1
Trypanosoma cruzi cdc2-related kinase 1 0.0088 0.0865 0.3616
Brugia malayi Cyclin, N-terminal domain containing protein 0.0026 0.011 0.0147
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0022 0.0022
Schistosoma mansoni cyclin G2 0.0026 0.011 0.011
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0435 0.0687
Echinococcus granulosus cyclin dependent kinase 5 0.0088 0.0865 0.0865
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0604 0.1873
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0104 0.1065 0.1733
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0068 0.0068
Onchocerca volvulus 0.0031 0.017 0.0199
Brugia malayi Cyclin, N-terminal domain containing protein 0.0026 0.011 0.0147
Trypanosoma cruzi cyclin, putative 0.0209 0.2354 1
Echinococcus multilocularis cyclin t1 0.0026 0.011 0.011
Echinococcus multilocularis G1:S specific cyclin D1 0.0026 0.011 0.011
Brugia malayi Cyclin, N-terminal domain containing protein 0.0026 0.011 0.0147
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0435 0.0435
Echinococcus granulosus cyclins 0.0108 0.1117 0.1117
Echinococcus multilocularis cyclin dependent kinase 0.0088 0.0865 0.0865
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0435 0.0435
Brugia malayi hypothetical protein 0.0026 0.011 0.0147
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0022 0.0022
Trypanosoma brucei cdc2-related kinase 1 0.0088 0.0865 0.3616
Echinococcus granulosus cyclin y 0.0026 0.011 0.011
Trichomonas vaginalis cyclin B, putative 0.0209 0.2354 0.7502
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0088 0.0865 0.1401
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0435 0.0687
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.0045 0.0045
Echinococcus granulosus lamin dm0 0.0031 0.017 0.017
Echinococcus granulosus zinc finger protein 0.0029 0.0148 0.0148
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0459 0.0459
Loa Loa (eye worm) cyclin domain-containing protein 0.0026 0.011 0.0147
Plasmodium vivax cyclin 4, putative 0.0026 0.011 0.1047
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0022 0.0022
Echinococcus granulosus G1:S specific cyclin D1 0.0026 0.011 0.011
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.017 0.0247
Giardia lamblia G2/mitotic-specific cyclin B 0.0209 0.2354 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.007 0.0643 0.0643
Echinococcus granulosus Cyclin L1 0.0026 0.011 0.011
Loa Loa (eye worm) cyclin domain-containing protein 0.0026 0.011 0.0147
Trichomonas vaginalis bromodomain containing protein, putative 0.0092 0.0913 0.2867
Echinococcus granulosus neuropeptide receptor A26 0.0562 0.6674 0.6674
Schistosoma mansoni hypothetical protein 0.0026 0.011 0.011
Loa Loa (eye worm) cyclin domain-containing protein 0.0026 0.011 0.0147
Trichomonas vaginalis cyclin B, putative 0.0026 0.011 0.0284
Loa Loa (eye worm) hypothetical protein 0.0026 0.011 0.0147
Loa Loa (eye worm) cyclin domain-containing protein 0.0026 0.011 0.0147
Trichomonas vaginalis cyclin B3, putative 0.0026 0.011 0.0284
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.024 0.2725 0.4492
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0019 0.0022 0.0002
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0022 0.0001
Brugia malayi Cyclin C 0.0026 0.011 0.0147
Schistosoma mansoni jumonji domain containing protein 0.0071 0.066 0.066
Entamoeba histolytica cyclin, domain containing protein 0.0026 0.011 0.0379
Schistosoma mansoni zinc finger protein 0.0029 0.0148 0.0148
Brugia malayi mbt repeat family protein 0.0048 0.0378 0.0592
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0503 0.5947 0.9845
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0022 0.0022
Echinococcus multilocularis cyclin B3 1 0.0108 0.1117 0.1117
Loa Loa (eye worm) intermediate filament protein 0.0031 0.017 0.0247
Loa Loa (eye worm) hypothetical protein 0.0209 0.2354 0.3875
Brugia malayi Cyclin, N-terminal domain containing protein 0.0026 0.011 0.0147
Giardia lamblia Kinase, CMGC CDK 0.0088 0.0865 0.3616
Brugia malayi Cyclin, N-terminal domain containing protein 0.0209 0.2354 0.3875
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0193 0.2154 0.2154
Entamoeba histolytica cell division protein kinase 2, putative 0.0088 0.0865 0.3616
Echinococcus multilocularis cyclins 0.0108 0.1117 0.1117
Loa Loa (eye worm) hypothetical protein 0.0026 0.011 0.0147
Echinococcus granulosus cyclin k 0.0026 0.011 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.011 0.0284
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0052 0.0421 0.0421
Entamoeba histolytica cyclin family protein 0.0108 0.1117 0.4695
Schistosoma mansoni ap endonuclease 0.0019 0.0022 0.0022
Toxoplasma gondii hypothetical protein 0.0082 0.0796 0.9187
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0022 0.0022
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.066 0.066
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0022 0.0022
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0022 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0435 0.0435
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0459 0.0459
Echinococcus multilocularis oligomeric golgi complex subunit 3 0.0026 0.011 0.011
Leishmania major cyclin 9, putative 0.0026 0.011 0.0379
Loa Loa (eye worm) hypothetical protein 0.0071 0.0662 0.1063
Trichomonas vaginalis bromodomain containing protein, putative 0.0066 0.0604 0.1873
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0026 0.011 0.011
Loa Loa (eye worm) bromodomain containing protein 0.0066 0.0604 0.0968
Brugia malayi cell division control protein 2 homolog 0.0088 0.0865 0.1401
Loa Loa (eye worm) hypothetical protein 0.0087 0.0853 0.1382
Echinococcus multilocularis tumor protein p63 0.034 0.3956 0.3956
Plasmodium vivax hypothetical protein, conserved 0.0026 0.011 0.1047
Brugia malayi Protein kinase domain containing protein 0.0088 0.0865 0.1401
Trichomonas vaginalis cyclin D, putative 0.0108 0.1117 0.3522
Schistosoma mansoni serine/threonine protein kinase 0.0088 0.0865 0.0865
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0378 0.0887
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0022 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0066 0.0604 0.1873
Giardia lamblia Cyclin fold protein 1, putative 0.0026 0.011 0.0379

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 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) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5733 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) 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: 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 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) 31.6228 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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