Detailed information for compound 1209987

Basic information

Technical information
  • TDR Targets ID: 1209987
  • Name: 3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-pyridin -2-yl-1,2,4-triazol-4-amine
  • MW: 309.389 | Formula: C16H15N5S
  • H donors: 1 H acceptors: 3 LogP: 2.79 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nn1c(SC/C=C/c2ccccc2)nnc1c1ccccn1
  • InChi: 1S/C16H15N5S/c17-21-15(14-10-4-5-11-18-14)19-20-16(21)22-12-6-9-13-7-2-1-3-8-13/h1-11H,12,17H2/b9-6+
  • InChiKey: ZCPQYTKYTCLLAN-RMKNXTFCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(3-phenylprop-2-enylsulfanyl)-5-pyridin-2-yl-1,2,4-triazol-4-amine
  • 3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(2-pyridyl)-1,2,4-triazol-4-amine
  • 3-(3-phenylprop-2-enylsulfanyl)-5-(2-pyridyl)-1,2,4-triazol-4-amine
  • 3-(3-phenylprop-2-enylthio)-5-(2-pyridyl)-1,2,4-triazol-4-amine
  • 3-[[(E)-3-phenylprop-2-enyl]thio]-5-(2-pyridyl)-1,2,4-triazol-4-amine
  • [3-(3-phenylprop-2-enylthio)-5-(2-pyridyl)-1,2,4-triazol-4-yl]amine
  • [3-[[(E)-3-phenylprop-2-enyl]thio]-5-(2-pyridyl)-1,2,4-triazol-4-yl]amine
  • STOCK4S-06968
  • MLS000082382
  • SMR000043231
  • ZINC02427830

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0388 0.2596 0.2596
Echinococcus multilocularis peregrin 0.0038 0.009 0.009
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0104 0.2484
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0381 0.3078
Schistosoma mansoni tar DNA-binding protein 0.0388 0.2596 0.2596
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0123 0.0123
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0381 0.0381
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.021 0.3945
Loa Loa (eye worm) hypothetical protein 0.0079 0.0381 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.0078 0.0378 0.78
Trichomonas vaginalis PIKK family atypical protein kinase 0.0073 0.034 0.6922
Schistosoma mansoni inositol monophosphatase 0.0045 0.0137 0.0137
Leishmania major mitochondrial DNA polymerase beta 0.0295 0.193 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.0365 0.0365
Echinococcus multilocularis tar DNA binding protein 0.0388 0.2596 0.2596
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0137 0.0525
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0306 0.6145
Plasmodium falciparum phd finger protein, putative 0.0035 0.007 0.1569
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0187 0.101
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0187 0.4744
Brugia malayi RNA recognition motif domain containing protein 0.0388 0.2596 0.4013
Onchocerca volvulus 0.0102 0.0547 0.0746
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0817 0.412
Trichomonas vaginalis PIKK family atypical protein kinase 0.0073 0.034 0.6922
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0474 0.0474
Loa Loa (eye worm) phosphatidylinositol 3 0.0092 0.0474 0.0733
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0172 0.3066
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0092 0.0474 0.4287
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0172 0.3078
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0038 0.009 0.0277
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.193 1
Loa Loa (eye worm) hypothetical protein 0.0929 0.6468 1
Loa Loa (eye worm) transcription factor SMAD2 0.0374 0.2492 0.3853
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0172 0.3078
Loa Loa (eye worm) TAR-binding protein 0.0388 0.2596 0.4013
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0388 0.2596 0.4013
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.007 0.1569
Brugia malayi hypothetical protein 0.0154 0.0923 0.1427
Trichomonas vaginalis PIKK family atypical protein kinase 0.0092 0.0474 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0306 0.6145
Brugia malayi Inositol-1 0.0045 0.0137 0.0212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0092 0.0474 0.0474
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0031 0.0038 0.0038
Schistosoma mansoni tar DNA-binding protein 0.0388 0.2596 0.2596
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0206 0.3855
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.0381 1
Brugia malayi Bromodomain containing protein 0.0091 0.0466 0.0721
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.007 0.1569
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0031 0.0038 0.0059
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0092 0.0474 0.4287
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0137 0.0525
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0137 0.2276
Schistosoma mansoni hypothetical protein 0.0154 0.0923 0.0923
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0115 0.0407
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0137 0.0525
Loa Loa (eye worm) MH2 domain-containing protein 0.0374 0.2492 0.3853
Schistosoma mansoni microtubule-associated protein tau 0.1422 1 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0031 0.0038 0.0038
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.018 0.075
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0137 0.2276
Echinococcus multilocularis tumor protein p63 0.0696 0.48 0.48
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0092 0.0474 0.2305
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0306 0.6145
Brugia malayi hypothetical protein 0.0929 0.6468 1
Entamoeba histolytica hypothetical protein 0.0154 0.0923 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 0.193 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0381 0.0381
Loa Loa (eye worm) phosphatidylinositol 3 0.0031 0.0038 0.0059
Giardia lamblia GTOR 0.0092 0.0474 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.007 0.1569
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0306 0.6145
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0013 0.0013
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0643 0.0643
Schistosoma mansoni tar DNA-binding protein 0.0388 0.2596 0.2596
Brugia malayi Bromodomain containing protein 0.0038 0.009 0.014
Loa Loa (eye worm) hypothetical protein 0.0102 0.0547 0.0846
Toxoplasma gondii hypothetical protein 0.0048 0.0158 0.3967
Trichomonas vaginalis PIKK family atypical protein kinase 0.0073 0.034 0.6922
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0187 0.0187
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0092 0.0474 0.2305
Onchocerca volvulus 0.0929 0.6468 1
Entamoeba histolytica hypothetical protein 0.0154 0.0923 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0137 0.3391
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0137 0.2276
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0334 0.0334
Loa Loa (eye worm) hypothetical protein 0.0085 0.0429 0.0664
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0092 0.0474 0.0733
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0115 0.0407
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0137 0.0525
Trichomonas vaginalis PIKK family atypical protein kinase 0.0092 0.0474 1
Brugia malayi jmjC domain containing protein 0.0115 0.0643 0.0995
Loa Loa (eye worm) hypothetical protein 0.006 0.025 0.0386
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0092 0.0474 0.2305
Brugia malayi PHD-finger family protein 0.0035 0.007 0.0108
Schistosoma mansoni tar DNA-binding protein 0.0388 0.2596 0.2596
Schistosoma mansoni hypothetical protein 0.0035 0.007 0.007
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0031 0.0038 0.0038
Echinococcus granulosus tar DNA binding protein 0.0388 0.2596 0.2596
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0115 0.0407
Entamoeba histolytica hypothetical protein 0.0154 0.0923 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.007 0.007
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0172 0.3066
Brugia malayi Probable ClpP-like protease 0.0079 0.0381 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0258 0.5047
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0338 0.0523
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0092 0.0474 0.0474
Loa Loa (eye worm) hypothetical protein 0.0049 0.017 0.0263
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0817 0.412
Trypanosoma cruzi target of rapamycin kinase 3 0.0073 0.034 0.1598
Brugia malayi MH2 domain containing protein 0.0374 0.2492 0.3853
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0306 0.6145
Schistosoma mansoni inositol monophosphatase 0.0045 0.0137 0.0137
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0139 0.0216
Schistosoma mansoni transcription factor LCR-F1 0.0154 0.0923 0.0923
Toxoplasma gondii target of rapamycin (TOR), putative 0.0068 0.0306 0.7958
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0092 0.0474 0.2305
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0137 0.0137
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.007 0.007
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0381 0.3078
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0139 0.0139
Schistosoma mansoni cellular tumor antigen P53 0.0102 0.0547 0.0547
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0169 0.0169
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0139 0.0139
Brugia malayi RNA binding protein 0.0388 0.2596 0.4013
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0128 0.0128
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0187 0.0187
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0154 0.0923 0.0923
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0172 0.3078
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0043 0.0128 0.0477
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0381 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.015 0.0231
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0643 0.0643
Echinococcus granulosus peregrin 0.0038 0.009 0.009
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.007 0.0108
Mycobacterium ulcerans hypothetical protein 0.0155 0.093 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0381 0.0381
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0092 0.0474 0.2305
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0306 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0206 0.3855
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.0381 1
Loa Loa (eye worm) RNA binding protein 0.0388 0.2596 0.4013
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0381 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0381 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0306 0.6145
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0381 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0092 0.0474 0.2305
Trichomonas vaginalis PIKK family atypical protein kinase 0.0092 0.0474 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0172 0.3066
Brugia malayi Bromodomain containing protein 0.0046 0.0149 0.023
Loa Loa (eye worm) hypothetical protein 0.0052 0.0187 0.0288
Trichomonas vaginalis PIKK family atypical protein kinase 0.0059 0.0244 0.4722
Loa Loa (eye worm) hypothetical protein 0.0035 0.007 0.0108
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0115 0.0407
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0092 0.0474 0.0474
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0169 0.0169
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.021 0.3945
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0073 0.034 0.1598
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0128 0.0128
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0187 0.101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.021 0.3945
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0334 0.0334
Entamoeba histolytica hypothetical protein 0.0154 0.0923 1
Loa Loa (eye worm) inositol-1 0.0045 0.0137 0.0212
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0073 0.034 0.1598
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.0817 0.412
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.093 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0381 1
Brugia malayi TAR-binding protein 0.0388 0.2596 0.4013
Echinococcus multilocularis microtubule associated protein 2 0.1422 1 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0013 0.0013
Echinococcus granulosus tumor protein p63 0.0696 0.48 0.48
Trichomonas vaginalis PIKK family atypical protein kinase 0.0073 0.034 0.6922
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.193 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0381 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0154 0.0923 0.0923
Trichomonas vaginalis PIKK family atypical protein kinase 0.0073 0.034 0.6922
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0172 0.3078
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0139 0.0139
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0381 1
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0137 0.0137
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.007 0.007
Brugia malayi jmjC domain containing protein 0.0045 0.0139 0.0216
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0013 0.0013
Brugia malayi PHD-finger family protein 0.003 0.0033 0.0051

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 23.974 uM PUBCHEM_BIOASSAY: Discovery of Small Molecule Probes for H1N1 Influenza NS1A. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504399] ChEMBL. No reference
Potency (functional) = 0.0251 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 14.7157 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 (binding) = 19.9526 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 28.1838 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

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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