Detailed information for compound 604795

Basic information

Technical information
  • TDR Targets ID: 604795
  • Name: [3-[(6-oxo-[1,3]thiazolo[2,3-e][1,2,4]triazol -5-ylidene)methyl]phenyl] acetate
  • MW: 291.326 | Formula: C13H13N3O3S
  • H donors: 0 H acceptors: 4 LogP: 2.41 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Oc1cccc(c1)C=C1SC2N(C1=O)NCN2
  • InChi: 1S/C13H9N3O3S/c1-8(17)19-10-4-2-3-9(5-10)6-11-12(18)16-13(20-11)14-7-15-16/h2-7H,1H3/b11-6-
  • InChiKey: CHERPLRJJWKRCH-WDZFZDKYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [3-[(Z)-(6-oxo-[1,3]thiazolo[2,3-e][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate
  • [3-[(Z)-(6-oxothiazolo[2,3-e][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate
  • [3-[(6-oxothiazolo[2,3-e][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate
  • acetic acid [3-[(Z)-(6-oxo-5-thiazolo[2,3-e][1,2,4]triazolylidene)methyl]phenyl] ester
  • acetic acid [3-[(6-oxo-5-thiazolo[2,3-e][1,2,4]triazolylidene)methyl]phenyl] ester
  • acetic acid [3-[(Z)-(6-ketothiazolo[2,3-e][1,2,4]triazol-5-ylidene)methyl]phenyl] ester
  • acetic acid [3-[(6-ketothiazolo[2,3-e][1,2,4]triazol-5-ylidene)methyl]phenyl] ester
  • [3-[(Z)-(6-oxo-[1,3]thiazolo[2,3-e][1,2,4]triazol-5-ylidene)methyl]phenyl] ethanoate
  • [3-[(6-oxo-[1,3]thiazolo[2,3-e][1,2,4]triazol-5-ylidene)methyl]phenyl] ethanoate

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 Protein kinase domain containing protein 0.0047 0.0552 0.0727
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0035 0.0301 0.0925
Echinococcus multilocularis cyclin dependent kinase 1 0.0047 0.0552 0.1246
Trypanosoma cruzi cdc2-related kinase 1 0.0047 0.0552 0.2155
Schistosoma mansoni survival motor neuron protein 0.0047 0.0544 0.127
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.4213 0.4912
Trichomonas vaginalis cyclin B, putative 0.0033 0.0265 0.0688
Trichomonas vaginalis cyclins, putative 0.0053 0.0661 0.3281
Echinococcus granulosus tyrosine protein kinase Lyn 0.0054 0.0682 0.0774
Schistosoma mansoni cell adhesion molecule 0.0058 0.0772 0.1827
Brugia malayi Fibronectin type III domain containing protein 0.0051 0.0627 0.0918
Trichomonas vaginalis cyclin B, putative 0.0053 0.0661 0.3281
Trichomonas vaginalis cyclin B, putative 0.0053 0.0661 0.3281
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0067 0.0954 0.2193
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0111 0.1836 0.2126
Trichomonas vaginalis CMGC family protein kinase 0.0047 0.0552 0.2564
Brugia malayi Immunoglobulin I-set domain containing protein 0.0117 0.195 0.4268
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0067 0.0954 0.1093
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0045 0.0502 0.0563
Trichomonas vaginalis cyclin B, putative 0.0053 0.0661 0.3281
Loa Loa (eye worm) hypothetical protein 0.0053 0.0661 0.0661
Loa Loa (eye worm) hypothetical protein 0.009 0.1416 0.1416
Brugia malayi MH2 domain containing protein 0.0116 0.1931 0.4219
Loa Loa (eye worm) phosphatidylinositol 3 0.0032 0.0239 0.0239
Trypanosoma cruzi cdc2-related kinase 3 0.0047 0.0552 0.2155
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0071 0.1036 0.5729
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1931 0.1931
Echinococcus multilocularis neuroglian 0.0057 0.0741 0.1691
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0445 0.8553 1
Giardia lamblia Kinase, CMGC CDK 0.0047 0.0552 0.8077
Echinococcus multilocularis Immunoglobulin 0.0051 0.0627 0.1423
Echinococcus granulosus tyrosine protein kinase Src42A 0.0038 0.0369 0.0406
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0104 0.1689 1
Onchocerca volvulus 0.0053 0.0661 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0051 0.0627 0.1473
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0052 0.0643 0.146
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0265 0.0688
Trichomonas vaginalis cyclin D, putative 0.0033 0.0265 0.0688
Giardia lamblia G2/mitotic-specific cyclin B 0.0053 0.0661 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0071 0.1036 0.5729
Trypanosoma cruzi cdc2-related kinase 3 0.0047 0.0552 0.2155
Echinococcus multilocularis cyclin b3 0.0033 0.0265 0.0571
Echinococcus granulosus cyclin B 0.0053 0.0661 0.0749
Brugia malayi Cyclin, N-terminal domain containing protein 0.0053 0.0661 0.1004
Trichomonas vaginalis CMGC family protein kinase 0.0047 0.0552 0.2564
Loa Loa (eye worm) hypothetical protein 0.0051 0.0627 0.0627
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0104 0.1689 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0052 0.0643 0.0728
Loa Loa (eye worm) hypothetical protein 0.0051 0.0627 0.0627
Trichomonas vaginalis cyclin B3, putative 0.0033 0.0265 0.0688
Giardia lamblia Kinase, CMGC CDK 0.0047 0.0552 0.8077
Loa Loa (eye worm) hypothetical protein 0.0051 0.0627 0.0627
Loa Loa (eye worm) TK/ABL protein kinase 0.0232 0.4273 0.4273
Brugia malayi hypothetical protein 0.0229 0.4213 1
Echinococcus granulosus tyrosine protein kinase ABL1 0.0232 0.4273 0.4983
Echinococcus multilocularis tyrosine protein kinase Blk 0.0045 0.0502 0.1129
Loa Loa (eye worm) hypothetical protein 0.0053 0.0661 0.0661
Echinococcus multilocularis cyclins 0.0033 0.0265 0.0571
Echinococcus granulosus tyrosine kinase 0.0045 0.0502 0.0563
Loa Loa (eye worm) phosphatidylinositol 3 0.0174 0.31 0.31
Echinococcus multilocularis cyclin dependent kinase 1 0.0047 0.0552 0.1246
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0051 0.0627 0.1473
Echinococcus granulosus tyrosine protein kinase Src42A 0.0052 0.0643 0.0728
Schistosoma mansoni tyrosine kinase 0.0225 0.4129 1
Trichomonas vaginalis cyclin D, putative 0.0033 0.0265 0.0688
Trichomonas vaginalis cyclins, putative 0.0053 0.0661 0.3281
Echinococcus granulosus tyrosine protein kinase Fyn 0.0052 0.0643 0.0728
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0104 0.1689 1
Loa Loa (eye worm) hypothetical protein 0.0229 0.4213 0.4213
Loa Loa (eye worm) hypothetical protein 0.0067 0.0954 0.0954
Trypanosoma cruzi CYC2-like cyclin, putative 0.0053 0.0661 0.2911
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0104 0.1689 0.3607
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0052 0.0643 0.146
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0111 0.1836 0.4267
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0232 0.4273 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0067 0.0954 0.1746
Schistosoma mansoni serine/threonine protein kinase 0.0047 0.0552 0.129
Echinococcus granulosus neuroglian 0.0057 0.0741 0.0843
Trypanosoma cruzi cyclin, putative 0.0053 0.0661 0.2911
Entamoeba histolytica protein kinase, putative 0.0038 0.0358 0.0653
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0104 0.1689 1
Trypanosoma brucei cdc2-related kinase 3 0.0047 0.0552 0.6956
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0065 0.0906 0.0906
Trypanosoma brucei mitotic cyclin 6 0.0053 0.0661 1
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1931 0.1931
Trichomonas vaginalis CMGC family protein kinase 0.0047 0.0552 0.2564
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0052 0.0643 0.146
Loa Loa (eye worm) TK protein kinase 0.0045 0.0502 0.0502
Loa Loa (eye worm) TK protein kinase 0.0117 0.195 0.195
Echinococcus multilocularis cyclins 0.0033 0.0265 0.0571
Echinococcus granulosus cyclin dependent kinase 0.0047 0.0552 0.0621
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0104 0.1689 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0195 0.3526 0.4107
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0052 0.0643 0.146
Echinococcus granulosus cyclins 0.0033 0.0265 0.0285
Echinococcus granulosus cyclin B3 1 0.0033 0.0265 0.0285
Brugia malayi protein-tyrosine kinase 0.0045 0.0502 0.0601
Loa Loa (eye worm) hypothetical protein 0.0045 0.0512 0.0512
Loa Loa (eye worm) hypothetical protein 0.0064 0.0886 0.0886
Echinococcus granulosus cyclins 0.0033 0.0265 0.0285
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0111 0.1836 0.4267
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.005 0.061 0.9097
Loa Loa (eye worm) hypothetical protein 0.0051 0.0627 0.0627
Loa Loa (eye worm) TK protein kinase 0.0038 0.0358 0.0358
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0035 0.0301 0.0426
Echinococcus multilocularis cyclins 0.0033 0.0265 0.0571
Giardia lamblia Hypothetical protein 0.0033 0.0265 0.3046
Loa Loa (eye worm) hypothetical protein 0.0051 0.0627 0.0627
Trypanosoma cruzi cyclin 6, putative 0.0053 0.0661 0.2911
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0502 0.1129
Entamoeba histolytica hypothetical protein 0.0083 0.1263 0.7009
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0052 0.0643 0.146
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0033 0.0265 0.0571
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0035 0.0301 0.0254
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0544 0.0706
Schistosoma mansoni serine/threonine protein kinase 0.0179 0.3196 0.7728
Echinococcus granulosus tyrosine protein kinase Src64B 0.0052 0.0643 0.0728
Brugia malayi cell division control protein 2 homolog 0.0047 0.0552 0.0727
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0195 0.3526 0.8241
Echinococcus granulosus defective proboscis extension response 0.0051 0.0627 0.0709
Entamoeba histolytica cell division protein kinase 2, putative 0.0047 0.0552 0.2014
Loa Loa (eye worm) hypothetical protein 0.0051 0.0627 0.0627
Echinococcus multilocularis cyclins 0.0033 0.0265 0.0571
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0035 0.0301 0.0092
Echinococcus multilocularis cyclins 0.0033 0.0265 0.0571
Echinococcus granulosus roundabout 2 0.0064 0.0886 0.1013
Trypanosoma cruzi cyclin, putative 0.0053 0.0661 0.2911
Echinococcus granulosus fibroblast growth factor receptor 4 0.0111 0.1836 0.2126
Plasmodium vivax protein kinase Crk2 0.0047 0.0552 0.5
Echinococcus granulosus tyrosine protein kinase Blk 0.0045 0.0502 0.0563
Echinococcus multilocularis cyclin B 0.0053 0.0661 0.1504
Schistosoma mansoni hypothetical protein 0.0047 0.0544 0.127
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0091 0.144 0.2977
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0047 0.0552 0.0552
Schistosoma mansoni vesicular amine transporter 0.0051 0.0627 0.1473
Brugia malayi Immunoglobulin I-set domain containing protein 0.0051 0.0627 0.0918
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0035 0.0301 0.0925
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0047 0.0552 0.0552
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0051 0.0627 0.1423
Schistosoma mansoni cyclin B3 0.0033 0.0265 0.0591
Echinococcus multilocularis cyclin B3 1 0.0033 0.0265 0.0571
Entamoeba histolytica cell division protein kinase 2, putative 0.0047 0.0552 0.2014
Trichomonas vaginalis cyclins, putative 0.0033 0.0265 0.0688
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0035 0.0301 0.0925
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0035 0.0301 0.068
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0058 0.0772 0.088
Trichomonas vaginalis cyclin B, putative 0.0053 0.0661 0.3281
Schistosoma mansoni tyrosine kinase 0.0111 0.1836 0.4417
Echinococcus multilocularis cyclin dependent kinase 6 0.0179 0.3196 0.7466
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0052 0.0643 0.146
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0052 0.0643 0.146
Echinococcus granulosus cyclin dependent kinase 1 0.0047 0.0552 0.0621
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0104 0.1689 1
Brugia malayi hypothetical protein 0.0051 0.0627 0.0918
Echinococcus granulosus cyclins 0.0033 0.0265 0.0285
Schistosoma mansoni nephrin 0.0057 0.0741 0.1751
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0053 0.0661 1
Echinococcus granulosus cyclins 0.0033 0.0265 0.0285
Loa Loa (eye worm) hypothetical protein 0.0037 0.0338 0.0338
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0195 0.3526 0.8531
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0052 0.0643 0.146
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0052 0.0643 0.146
Echinococcus granulosus tyrosine protein kinase HCK 0.0038 0.0358 0.0394
Trichomonas vaginalis cyclins, putative 0.0053 0.0661 0.3281
Loa Loa (eye worm) hypothetical protein 0.0058 0.0772 0.0772
Plasmodium falciparum protein kinase 5 0.0047 0.0552 1
Echinococcus multilocularis Immunoglobulin 0.0051 0.0627 0.1423
Schistosoma mansoni cyclins 0.0033 0.0265 0.0591
Echinococcus multilocularis cyclins 0.0033 0.0265 0.0571
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0038 0.0369 0.0815
Echinococcus multilocularis tyrosine protein kinase Abl 0.0104 0.1701 0.395
Echinococcus granulosus cyclin dependent kinase 6 0.0179 0.3196 0.3721
Trypanosoma brucei cdc2-related kinase 1 0.0047 0.0552 0.6956
Echinococcus multilocularis roundabout 2 0.0064 0.0886 0.2033
Echinococcus granulosus Immunoglobulin 0.0051 0.0627 0.0709
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0046 0.0528 0.185
Echinococcus multilocularis tyrosine protein kinase HCK 0.0038 0.0358 0.079
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0101 0.1627 0.9566
Brugia malayi SRC-1 0.0052 0.0643 0.0957
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0052 0.0643 0.0728
Echinococcus multilocularis cyclin dependent kinase 5 0.0047 0.0552 0.1246
Echinococcus multilocularis cyclins 0.0033 0.0265 0.0571
Entamoeba histolytica cyclin, putative 0.0053 0.0661 0.2784
Trichomonas vaginalis cyclins, putative 0.0053 0.0661 0.3281
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0047 0.0552 0.0552
Trypanosoma cruzi cdc2-related kinase 1 0.0047 0.0552 0.2155
Echinococcus multilocularis cyclin dependent kinase 0.0047 0.0552 0.1246
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0033 0.0265 0.0285
Brugia malayi Cyclin, N-terminal domain containing protein 0.0053 0.0661 0.1004
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0083 0.1263 0.7009
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0052 0.0643 0.0728
Leishmania major cyclin 0.0053 0.0661 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0047 0.0552 1
Loa Loa (eye worm) SRC-1 0.0052 0.0643 0.0643
Echinococcus multilocularis tyrosine protein kinase Srms 0.0045 0.0502 0.1129
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0047 0.0552 0.0621
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0035 0.0301 0.0254
Loa Loa (eye worm) hypothetical protein 0.0064 0.0886 0.0886
Schistosoma mansoni tyrosine kinase 0.0052 0.0643 0.1512
Echinococcus granulosus cyclin b3 0.0033 0.0265 0.0285
Brugia malayi Tyrosine-protein kinase abl-1 0.0135 0.2316 0.5196
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.4213 0.9858
Echinococcus granulosus tyrosine protein kinase Fyn 0.0052 0.0643 0.0728
Giardia lamblia Cyclin A 0.0033 0.0265 0.3046
Loa Loa (eye worm) cyclin domain-containing protein 0.0033 0.0265 0.0265
Brugia malayi Immunoglobulin I-set domain containing protein 0.0065 0.0906 0.1624
Echinococcus granulosus twitchin 0.0059 0.078 0.0889
Trichomonas vaginalis cyclin A, putative 0.0053 0.0661 0.3281
Echinococcus granulosus cyclins 0.0033 0.0265 0.0285
Schistosoma mansoni cyclin B 0.0053 0.0661 0.1557
Brugia malayi Tyrosine-protein kinase abl-1 0.0104 0.1701 0.3638
Schistosoma mansoni serine/threonine protein kinase 0.0047 0.0552 0.129
Schistosoma mansoni tyrosine kinase 0.0052 0.0643 0.1512
Echinococcus granulosus cyclin dependent kinase 5 0.0047 0.0552 0.0621

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 10 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
EC50 (functional) > 0.989 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) > 1.25 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
IFI promiscuity index = 0 IFI promiscuity index Novartis-GNF Malaria Box. 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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