Detailed information for compound 1311478

Basic information

Technical information
  • TDR Targets ID: 1311478
  • Name: 3-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methy l]-2-[(4-methylpiperazin-1-yl)methyl]quinazol in-4-one
  • MW: 449.544 | Formula: C24H24FN5OS
  • H donors: 0 H acceptors: 2 LogP: 3.08 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)Cc1nc2ccccc2c(=O)n1Cc1scc(n1)c1ccccc1F
  • InChi: 1S/C24H24FN5OS/c1-28-10-12-29(13-11-28)14-22-26-20-9-5-3-7-18(20)24(31)30(22)15-23-27-21(16-32-23)17-6-2-4-8-19(17)25/h2-9,16H,10-15H2,1H3
  • InChiKey: FSATXKWIXKHYQV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[4-(2-fluorophenyl)thiazol-2-yl]methyl]-2-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-one
  • 3-[[4-(2-fluorophenyl)-2-thiazolyl]methyl]-2-[(4-methyl-1-piperazinyl)methyl]-4-quinazolinone
  • T5250636
  • MLS000416421
  • SMR000264258

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens signal transducer and activator of transcription 1, 91kDa Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
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 granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
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) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
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 donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
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
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0392 0.189 0.189
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0392 0.189 0.189
Schistosoma mansoni hypothetical protein 0.0043 0.0046 0.0046
Trypanosoma cruzi heat shock protein 85, putative 0.1923 1 1
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0392 0.189 0.1827
Trypanosoma cruzi DNA topoisomerase II, putative 0.0392 0.189 0.1827
Toxoplasma gondii Hsp90 domain-containing protein 0.0788 0.3989 0.3989
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0108 0.0108
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0108 0.0108
Plasmodium vivax heat shock protein, putative 0.0788 0.3989 0.3989
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0392 0.189 0.189
Trichomonas vaginalis endoplasmin, putative 0.118 0.6063 0.5145
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0392 0.189 0.2309
Trypanosoma cruzi DNA topoisomerase II, putative 0.0392 0.189 0.1827
Leishmania major heat shock protein 83-1 0.1923 1 1
Leishmania major hypothetical protein, conserved 0.0392 0.189 0.1827
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0046 0.0046
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0108 0.0108
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.1532 0.7926 1
Trypanosoma brucei heat shock protein, putative 0.1923 1 1
Trichomonas vaginalis heat shock protein, putative 0.1923 1 1
Leishmania major heat shock protein 83-1 0.1923 1 1
Mycobacterium ulcerans putative regultory protein 0.0392 0.189 0.2309
Trypanosoma cruzi heat shock protein 85, putative 0.1923 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0108 0.0108
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0392 0.189 0.189
Brugia malayi heat shock protein 90 0.1923 1 1
Trypanosoma brucei heat shock protein, putative 0.1923 1 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0392 0.189 0.2309
Brugia malayi hypothetical protein 0.0043 0.0046 0.0046
Giardia lamblia Heat shock protein HSP 90-alpha 0.1532 0.7926 0.7443
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0392 0.189 0.2309
Loa Loa (eye worm) heat shock protein 90 0.1923 1 1
Trichomonas vaginalis heat shock protein, putative 0.1532 0.7926 0.7443
Brugia malayi STAT protein, DNA binding domain containing protein 0.0159 0.0657 0.0657
Trichomonas vaginalis heat shock protein, putative 0.1532 0.7926 0.7443
Leishmania major heat shock protein 83-1 0.1923 1 1
Leishmania major heat shock protein 83-1 0.1923 1 1
Schistosoma mansoni pyruvate dehydrogenase 0.0392 0.189 0.189
Plasmodium falciparum heat shock protein 90 0.1923 1 1
Leishmania major heat shock protein, putative 0.0788 0.3989 0.3942
Trypanosoma cruzi heat shock protein, putative 0.0788 0.3989 0.3942
Chlamydia trachomatis DNA gyrase subunit B 0.0392 0.189 0.5
Trypanosoma brucei heat shock protein, putative 0.1923 1 1
Trypanosoma brucei heat shock protein, putative 0.1923 1 1
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0392 0.189 0.2309
Trypanosoma brucei Heat shock protein 83, putative 0.1923 1 1
Plasmodium vivax heat shock protein 90, putative 0.0788 0.3989 0.3989
Echinococcus granulosus heat shock protein 90 0.1532 0.7926 0.7926
Leishmania major heat shock protein 83-1 0.1923 1 1
Entamoeba histolytica heat shock protein 90, putative 0.1923 1 1
Trypanosoma brucei heat shock protein 84, putative 0.0788 0.3989 0.3989
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0392 0.189 0.1827
Leishmania major mitochondrial DNA topoisomerase II 0.0392 0.189 0.1827
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0392 0.189 0.189
Echinococcus multilocularis endoplasmin 0.1532 0.7926 0.7926
Plasmodium falciparum DNA gyrase subunit B 0.0392 0.189 0.189
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.1532 0.7926 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0392 0.189 0.189
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0392 0.189 0.189
Loa Loa (eye worm) TOPoisomerase family member 0.0392 0.189 0.189
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.1532 0.7926 0.7926
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0392 0.189 0.189
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0108 0.0108
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0392 0.189 0.189
Mycobacterium ulcerans two component regulator - sensor kinase 0.0392 0.189 0.2309
Giardia lamblia Grp94/Hsp90 0.1532 0.7926 0.7443
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0392 0.189 0.1827
Leishmania major DNA topoisomerase ii 0.0392 0.189 0.1827
Brugia malayi RNA, U transporter 1 0.0099 0.034 0.034
Leishmania major heat shock protein 83-1 0.1923 1 1
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0392 0.189 0.2309
Toxoplasma gondii heat shock protein 90, putative 0.1923 1 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0392 0.189 0.1827
Loa Loa (eye worm) endoplasmin 0.1923 1 1
Leishmania major heat shock protein 83-1 0.1923 1 1
Brugia malayi Hsp90 protein 0.0788 0.3989 0.3989
Loa Loa (eye worm) hypothetical protein 0.0392 0.189 0.189
Loa Loa (eye worm) heat shock protein 75 0.0788 0.3989 0.3989
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0108 0.0108
Trypanosoma brucei heat shock protein, putative 0.1923 1 1
Trichomonas vaginalis heat shock protein, putative 0.1532 0.7926 0.7443
Echinococcus granulosus heat shock protein 0.1923 1 1
Schistosoma mansoni DNA topoisomerase II 0.0392 0.189 0.189
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0108 0.0108
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0392 0.189 0.189
Plasmodium vivax DNA topoisomerase II, putative 0.0392 0.189 0.189
Echinococcus multilocularis heat shock protein 0.1923 1 1
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0392 0.189 0.2309
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0046 0.0046
Leishmania major heat shock protein 83-1 0.1923 1 1
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0392 0.189 0.2309
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0108 0.0108
Schistosoma mansoni heat shock protein 0.1923 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.1923 1 1
Plasmodium vivax endoplasmin, putative 0.1923 1 1
Brugia malayi Cytochrome P450 family protein 0.0049 0.0077 0.0077
Leishmania major heat shock protein 83-1 0.1923 1 1
Trypanosoma brucei DNA topoisomerase ii 0.0392 0.189 0.189
Schistosoma mansoni endoplasmin 0.1923 1 1
Echinococcus multilocularis snurportin 1 0.0372 0.1784 0.1784
Schistosoma mansoni hypothetical protein 0.0372 0.1784 0.1784
Trypanosoma brucei heat shock protein, putative 0.1923 1 1
Echinococcus granulosus heat shock protein 90 0.1923 1 1
Echinococcus multilocularis heat shock protein 90 0.1532 0.7926 0.7926
Echinococcus granulosus endoplasmin 0.1532 0.7926 0.7926
Plasmodium falciparum heat shock protein 90, putative 0.0788 0.3989 0.3989
Schistosoma mansoni heat shock protein 0.0788 0.3989 0.3989
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0788 0.3989 0.3989
Brugia malayi Probable DNA topoisomerase II 0.0392 0.189 0.189
Echinococcus granulosus snurportin 1 0.0372 0.1784 0.1784
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0392 0.189 0.189
Leishmania major heat shock protein 83-1 0.1923 1 1
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0392 0.189 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.1784 0.1784
Plasmodium falciparum DNA topoisomerase 2 0.0392 0.189 0.189
Trypanosoma brucei heat shock protein 90, putative 0.1923 1 1
Schistosoma mansoni endoplasmin 0.1923 1 1
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0788 0.3989 0.3961
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0392 0.189 0.189
Toxoplasma gondii heat shock protein 75, putative 0.0788 0.3989 0.3989
Leishmania major heat shock protein 83-1 0.1923 1 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0392 0.189 0.189
Loa Loa (eye worm) hypothetical protein 0.0035 0.0002 0.0002
Plasmodium vivax heat shock protein 86, putative 0.1923 1 1
Toxoplasma gondii heat shock protein HSP90 0.1923 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.1532 0.7926 0.791
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0392 0.189 0.2309
Leishmania major developmentally regulated phosphoprotein-like protein 0.0392 0.189 0.1827
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.1532 0.7926 0.791
Leishmania major heat shock protein 83-1 0.1923 1 1
Loa Loa (eye worm) STAT protein 0.0159 0.0657 0.0657
Loa Loa (eye worm) cytochrome P450 family protein 0.0049 0.0077 0.0077
Plasmodium vivax hypothetical protein, conserved 0.0392 0.189 0.189
Trypanosoma cruzi Heat shock protein 83, putative 0.1923 1 1
Plasmodium falciparum heat shock protein 90, putative 0.0788 0.3989 0.3989
Trypanosoma cruzi heat shock protein 90, putative 0.1135 0.5827 0.5794
Trypanosoma brucei heat shock protein, putative 0.1923 1 1
Brugia malayi kinase, mitochondrial precursor 0.0392 0.189 0.189
Chlamydia trachomatis DNA gyrase subunit B 0.0392 0.189 0.5
Entamoeba histolytica DNA topoisomerase II, putative 0.0392 0.189 0.1853
Leishmania major heat shock protein 83-1 0.1923 1 1
Leishmania major heat shock protein 83-1 0.1923 1 1
Trichomonas vaginalis heat shock protein, putative 0.0788 0.3989 0.2588
Trypanosoma brucei heat shock protein 90, putative 0.1923 1 1
Treponema pallidum heat shock protein 90 0.1532 0.7926 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.5001 0.5001
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.1532 0.7926 1
Trichomonas vaginalis heat shock protein, putative 0.118 0.6063 0.5145
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0392 0.189 0.189
Leishmania major heat shock protein 83-1 0.1923 1 1
Echinococcus multilocularis heat shock protein 90 0.1923 1 1
Leishmania major heat shock protein 83-1 0.1923 1 1
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0392 0.189 0.189
Trypanosoma cruzi heat shock protein 90, putative 0.1923 1 1
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0788 0.3989 1
Trypanosoma cruzi heat shock protein 90, putative 0.1532 0.7926 0.791
Trypanosoma brucei developmentally regulated phosphoprotein 0.0392 0.189 0.189
Mycobacterium ulcerans two component sensor kinase MprB 0.0392 0.189 0.2309
Brugia malayi Cytochrome P450 family protein 0.0049 0.0077 0.0077
Giardia lamblia Heat shock protein HSP 90-alpha 0.1923 1 1
Mycobacterium ulcerans heat shock protein 90 0.1532 0.7926 1
Entamoeba histolytica heat shock protein 90, putative 0.1923 1 1
Trypanosoma brucei cytochrome P450, putative 0.0049 0.0077 0.0077
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0788 0.3989 0.3989
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0108 0.0108
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0046 0.0046
Loa Loa (eye worm) CYP4Cod1 0.0049 0.0077 0.0077
Leishmania major heat shock protein 83-1 0.1923 1 1
Schistosoma mansoni heat shock protein 0.1923 1 1
Trypanosoma brucei heat shock protein, putative 0.1923 1 1
Mycobacterium ulcerans DNA gyrase subunit B 0.0392 0.189 0.2309
Toxoplasma gondii DNA topoisomerase 2, putative 0.0392 0.189 0.189
Loa Loa (eye worm) cytochrome P450 family protein 0.0049 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0392 0.189 0.189
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0392 0.189 0.189
Plasmodium falciparum endoplasmin, putative 0.118 0.6063 0.6063

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4.239 um PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT1 inhibition. (Class of assay: confirmatory) [Related pubchem assays: 1263, 920, 862, 1303, 1310 ] ChEMBL. No reference
IC50 (functional) = 30.035 um PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identify STAT1 inhibitors: luminescence-based cell-based dose response assay for STAT1 inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1263 (Confirmation screen (STAT1, 3X%INH)), 920 (Primary screen (STAT1, 1X%INH)), 862 (Primary screen (STAT3, 1X%INH)), 1303 (Counterscreen (NF-kappaB, 3X%INH)), 1803 (Summary (STAT1 inhibitors)), 1411 (Dose Response counterscreen (STAT1, 3XIC50)), 1310 (Counterscreen (STAT3, 3X%INH)), 1396 (Counterscreen (STAT3, 3X%INH))] ChEMBL. No reference
IC50 (functional) > 55.69 um PUBCHEM_BIOASSAY: Late stage counterscreen results from the probe development effort to identify STAT1 inhibitors: luminescence-based cell-based dose response assay for STAT3 inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 920 (Primary screen (STAT1, 1X%INH)), 1310 (Counterscreen (STAT3, 3X%INH)), 1263 (Confirmation screen (STAT1, 3X%INH)), 862 (Primary screen (STAT3, 1X%INH)), 1303 (Counterscreen (NF-kappaB, 3X%INH)), 1803 (Summary (STAT1 inhibitors)), 1411 (Dose Response counterscreen (STAT1, 3XIC50)), 1396 (Dose Response (STAT3, 3XIC50))] ChEMBL. No reference
IC50 (functional) > 55.7 um PUBCHEM_BIOASSAY: Dose response counterscreen for STAT1 inhibitors: cell-based high throughput assay to measure STAT3 inhibition. (Class of assay: confirmatory) [Related pubchem assays: 920, 1310, 1263, 862, 1303 ] ChEMBL. No reference
Potency (functional) 2.5119 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) 6.5131 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) 11.6891 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) 16.3601 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 18.526 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) 19.9526 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 26.6795 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) 31.6228 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) 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

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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