Detailed information for compound 1499061

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 292.42 | Formula: C14H16N2OS2
  • H donors: 1 H acceptors: 1 LogP: 3.65 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccc(cc1)C=C1SC(=S)NC1=O)CC
  • InChi: 1S/C14H16N2OS2/c1-3-16(4-2)11-7-5-10(6-8-11)9-12-13(17)15-14(18)19-12/h5-9H,3-4H2,1-2H3,(H,15,17,18)
  • InChiKey: CWQLQYNQWCTDQF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens corticotropin releasing hormone binding protein No references
Homo sapiens tumor susceptibility 101 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens corticotropin releasing hormone receptor 2 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans weak similarity to S. cerevisiae STP22 putative ubiquitin receptor, and to mouse tumor susceiptibility protein TSG101 Get druggable targets OG5_128950 All targets in OG5_128950
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni tsg101-related Get druggable targets OG5_128950 All targets in OG5_128950
Echinococcus multilocularis tumor susceptibility gene 101 protein Get druggable targets OG5_128950 All targets in OG5_128950
Schistosoma mansoni tsg101-related Get druggable targets OG5_128950 All targets in OG5_128950
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K01931 tumor suppressor protein 101 [EC:6.3.2.19], putative Get druggable targets OG5_128950 All targets in OG5_128950
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica tumor susceptibility gene 101 protein, putative Get druggable targets OG5_128950 All targets in OG5_128950
Brugia malayi hypothetical protein Get druggable targets OG5_128950 All targets in OG5_128950
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
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
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
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
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans weak similarity to S. cerevisiae STP22 putative ubiquitin receptor, and to mouse tumor susceiptibility protein TSG101 Get druggable targets OG5_128950 All targets in OG5_128950
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni tsg101-related Get druggable targets OG5_128950 All targets in OG5_128950
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128950 All targets in OG5_128950
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Tumor susceptibility gene 101 protein, putative Get druggable targets OG5_128950 All targets in OG5_128950
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_128950 All targets in OG5_128950
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus tumor susceptibility gene 101 protein Get druggable targets OG5_128950 All targets in OG5_128950
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c corticotropin releasing hormone receptor 2 438 aa 383 aa 26.1 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1419 0.3406
Loa Loa (eye worm) hypothetical protein 0.0035 0.0515 0.0515
Loa Loa (eye worm) hypothetical protein 0.006 0.165 0.165
Schistosoma mansoni transketolase 0.0053 0.1335 0.3198
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0515 0.1161
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.1366 0.3275
Trypanosoma cruzi transketolase, putative 0.0053 0.1335 0.3198
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.413 0.5043
Mycobacterium ulcerans transketolase 0.0053 0.1335 1
Onchocerca volvulus 0.0059 0.1581 0.1604
Schistosoma mansoni jumonji domain containing protein 0.0092 0.306 0.7483
Schistosoma mansoni transketolase 0.0053 0.1335 0.3198
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E1 component, beta subunit BkdB 0.0053 0.1335 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.4074 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4074 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0849 0.099
Echinococcus multilocularis transketolase 0.0053 0.1335 0.1591
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0849 0.099
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4074 1
Mycobacterium ulcerans pyruvate dehydrogenase E1 component subunit PdhB 0.0053 0.1335 1
Trypanosoma cruzi pyruvate dehydrogenase E1 beta subunit, putative 0.0077 0.2409 0.5866
Wolbachia endosymbiont of Brugia malayi transketolase 0.0053 0.1335 0.5453
Leishmania major 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0053 0.1335 0.3198
Trypanosoma cruzi Vps23 core domain containing protein, putative 0.0027 0.0138 0.0225
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1137 0.1346
Schistosoma mansoni hypothetical protein 0.0035 0.0515 0.1161
Toxoplasma gondii pyruvate dehydrogenase complex subunit PD-HE1Beta 0.0077 0.2409 1
Plasmodium vivax 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial, putative 0.0053 0.1335 0.5453
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.2207 0.2207
Leishmania major transketolase 0.0053 0.1335 0.3198
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4074 1
Echinococcus multilocularis dna polymerase eta 0.0054 0.1366 0.1629
Echinococcus multilocularis peregrin 0.0035 0.0515 0.0577
Trypanosoma cruzi 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0053 0.1335 0.3198
Loa Loa (eye worm) hypothetical protein 0.0041 0.0783 0.0783
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.413 0.5043
Toxoplasma gondii 1-deoxy-D-xylulose-5-phosphate synthase 0.0053 0.1335 0.5453
Treponema pallidum 1-deoxy-D-xylulose-5-phosphate synthase 0.0053 0.1335 0.5
Loa Loa (eye worm) 2-oxoglutarate dehydrogenase E1 component 0.0025 0.0047 0.0047
Trypanosoma brucei chrX additional, unordered contigs 0.0053 0.1335 0.3198
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.1366 0.1325
Trypanosoma brucei transketolase, putative 0.0053 0.1335 0.3198
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0515 0.1979
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1419 0.1419
Trypanosoma brucei pyruvate dehydrogenase E1 beta subunit, putative 0.0077 0.2409 0.5866
Echinococcus granulosus peregrin 0.0035 0.0515 0.0577
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0515 0.1979
Loa Loa (eye worm) hypothetical protein 0.0084 0.2716 0.2716
Schistosoma mansoni DNA polymerase eta 0.0054 0.1366 0.3275
Plasmodium falciparum phd finger protein, putative 0.0035 0.0515 0.1979
Toxoplasma gondii pyruvate dehydrogenase E1 component, beta subunit, putative 0.0053 0.1335 0.5453
Schistosoma mansoni tsg101-related 0.007 0.2082 0.5053
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1419 0.1694
Plasmodium falciparum pyruvate dehydrogenase E1 component subunit beta 0.0077 0.2409 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.4074 0.4046
Trypanosoma brucei 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0053 0.1335 0.3198
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate synthase Dxs1 (1-deoxyxylulose-5-phosphate synthase) (DXP synthase) (DXPS) 0.0053 0.1335 0.5
Brugia malayi MH2 domain containing protein 0.0144 0.5432 0.541
Loa Loa (eye worm) hypothetical protein 0.0077 0.2409 0.2409
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0515 0.0515
Brugia malayi pyruvate dehydrogenase E1 component beta subunit, putative 0.0077 0.2409 0.2373
Brugia malayi 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor 0.0053 0.1335 0.1294
Giardia lamblia Kinase, PLK 0.0114 0.4074 1
Leishmania major DNA polymerase eta, putative 0.0038 0.0641 0.1473
Toxoplasma gondii transketolase 0.0053 0.1335 0.5453
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4074 1
Schistosoma mansoni tsg101-related 0.007 0.2082 0.5053
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0515 0.1979
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1419 0.1694
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1419 0.3406
Brugia malayi Bromodomain containing protein 0.0035 0.0515 0.047
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0849 0.1991
Loa Loa (eye worm) hypothetical protein 0.0054 0.1366 0.1366
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate synthase 0.0053 0.1335 0.5453
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0515 0.0577
Chlamydia trachomatis transketolase 0.0053 0.1335 0.5453
Chlamydia trachomatis pyruvate dehydrogenase subunit beta 0.0077 0.2409 1
Echinococcus granulosus pyruvate dehydrogenase 0.0077 0.2409 0.2918
Loa Loa (eye worm) 2-oxoisovalerate dehydrogenase subunit beta 0.0053 0.1335 0.1335
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.1366 0.3275
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE SYNTHASE DXS1 (1-DEOXYXYLULOSE-5-PHOSPHATE SYNTHASE) (DXP SYNTHASE) (DXPS) 0.0053 0.1335 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.4074 1
Trypanosoma cruzi 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0053 0.1335 0.3198
Chlamydia trachomatis 1-deoxy-D-xylulose-5-phosphate synthase 0.0053 0.1335 0.5453
Trypanosoma cruzi transketolase, putative 0.0053 0.1335 0.3198
Brugia malayi transketolase 0.0053 0.1335 0.1294
Brugia malayi hypothetical protein 0.0084 0.2716 0.2681
Leishmania major DNA polymerase eta, putative 0.0054 0.1366 0.3275
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1419 0.1378
Echinococcus granulosus transketolase 0.0053 0.1335 0.1591
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0849 0.0849
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1137 0.1346
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1419 0.3406
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1474 0.2127
Schistosoma mansoni kinase 0.0058 0.1542 0.3713
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1643 0.1643
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0641 0.2512
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0849 0.1991
Loa Loa (eye worm) hypothetical protein 0.0182 0.7161 0.7161
Brugia malayi PHD-finger family protein 0.0035 0.0515 0.047
Chlamydia trachomatis oxoisovalerate dehydrogenase subunits alpha/beta 0.006 0.1628 0.6693
Loa Loa (eye worm) hypothetical protein 0.0245 1 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.2409 0.2409
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1419 0.1694
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4074 1
Schistosoma mansoni pyruvate dehydrogenase (lipoamide) 0.0077 0.2409 0.5866
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.4074 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0515 0.0577
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1474 0.2127
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.4074 0.4974
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1419 0.1694
Brugia malayi pyruvate dehydrogenase E1 component beta subunit, mitochondrial 0.0077 0.2409 0.2373
Leishmania major pyruvate dehydrogenase E1 beta subunit, putative 0.0077 0.2409 0.5866
Leishmania major hypothetical protein, conserved 0.0027 0.0138 0.0225
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.4074 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0641 0.1473
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4074 1
Brugia malayi jmjC domain containing protein 0.0115 0.413 0.4102
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.4074 1
Plasmodium falciparum 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial, putative 0.0053 0.1335 0.5453
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4074 1
Trypanosoma cruzi pyruvate dehydrogenase E1 beta subunit, putative 0.0077 0.2409 0.5866
Echinococcus granulosus dna polymerase eta 0.0054 0.1366 0.1629
Schistosoma mansoni hypothetical protein 0.0041 0.0783 0.1827
Mycobacterium leprae Probable transketolase Tkt (TK) 0.0053 0.1335 1
Brugia malayi jmjC domain containing protein 0.0043 0.0849 0.0806
Wolbachia endosymbiont of Brugia malayi pyruvate dehydrogenase subunit beta 0.0077 0.2409 1
Trypanosoma brucei polo-like protein kinase 0.0114 0.4074 1
Trypanosoma brucei 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0053 0.1335 0.3198
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0783 0.0739
Echinococcus granulosus transketolase 0.0053 0.1335 0.1591
Loa Loa (eye worm) hypothetical protein 0.0053 0.1335 0.1335
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.5432 0.5432
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.4074 0.4974
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.5432 0.5432
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0204 0.8143 1
Schistosoma mansoni tsg101-related 0.0057 0.1504 0.3617
Onchocerca volvulus 0.0182 0.7161 1
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate synthase, putative 0.0053 0.1335 0.5453
Trypanosoma brucei Vps23 core domain containing protein, putative 0.0027 0.0138 0.0225
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1643 0.1603
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.4074 0.4074
Trichomonas vaginalis transketolase, putative 0.0053 0.1335 0.1706
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0204 0.8143 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.4074 0.5355
Mycobacterium ulcerans 1-deoxy-D-xylulose-5-phosphate synthase 0.0053 0.1335 1
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0084 0.2716 0.3296
Plasmodium vivax pyruvate dehydrogenase E1 component subunit beta, putative 0.0077 0.2409 1
Brugia malayi hypothetical protein 0.0182 0.7161 0.7147
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0084 0.2716 0.3296
Echinococcus multilocularis pyruvate dehydrogenase 0.0077 0.2409 0.2918
Mycobacterium tuberculosis Transketolase Tkt (TK) 0.0053 0.1335 0.5
Echinococcus multilocularis transketolase 0.0053 0.1335 0.1591
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0057 0.1504 0.0616

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 4.11 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1 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) 2.9935 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 14.1254 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485342, AID485388] ChEMBL. No reference
Potency (functional) 23.9341 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 28.1838 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 29.0929 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 of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 58.4789 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS Assay for the Inhibitors of FEN1: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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) 125.8925 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) 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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