Detailed information for compound 1393402

Basic information

Technical information
  • TDR Targets ID: 1393402
  • Name: 7-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hyd roxypropoxy]-4-methylchromen-2-one
  • MW: 412.454 | Formula: C23H25FN2O4
  • H donors: 1 H acceptors: 2 LogP: 2.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN1CCN(CC1)c1ccc(cc1)F)COc1ccc2c(c1)oc(=O)cc2C
  • InChi: 1S/C23H25FN2O4/c1-16-12-23(28)30-22-13-20(6-7-21(16)22)29-15-19(27)14-25-8-10-26(11-9-25)18-4-2-17(24)3-5-18/h2-7,12-13,19,27H,8-11,14-15H2,1H3
  • InChiKey: JFIRXVDEZJPDCW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxy-propoxy]-4-methyl-chromen-2-one
  • 7-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-hydroxypropoxy]-4-methyl-2-chromenone
  • 7-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxy-propoxy]-4-methyl-coumarin
  • MLS000055443
  • MLS000879919
  • Oprea1_361740
  • 7-{3-[4-(4-fluorophenyl)-1-piperazinyl]-2-hydroxypropoxy}-4-methyl-2H-chromen-2-one
  • AP-124/43383636
  • SMR000065946

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.1633 0.9834 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.1633 0.9834 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0225 0.121 0.1227
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0413 0.0413
Echinococcus multilocularis lamin dm0 0.0033 0.0034 0.0034
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0225 0.121 0.1231
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.1436 0.8624 0.8624
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0034 0.0034
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0225 0.121 0.1227
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0225 0.121 0.1231
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0213 0.0213
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0225 0.121 0.1231
Echinococcus multilocularis lamin 0.0033 0.0034 0.0034
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0225 0.121 0.1231
Leishmania major hypothetical protein, conserved 0.0032 0.0029 0.003
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0225 0.121 0.1231
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0225 0.121 0.1231
Leishmania major peptidylprolyl isomerase-like protein 0.1633 0.9834 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0413 0.0413
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.1436 0.8624 0.8624
Loa Loa (eye worm) hypothetical protein 0.0032 0.0029 0.0029
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0225 0.121 0.1231
Echinococcus granulosus microtubule associated protein 2 0.0833 0.4936 0.4936
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0225 0.121 0.1231
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.1633 0.9834 1
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0225 0.121 0.1231
Giardia lamblia Hypothetical protein 0.0225 0.121 0.1231
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0225 0.121 0.121
Schistosoma mansoni lamin 0.0033 0.0034 0.0034
Onchocerca volvulus 0.0033 0.0034 0.0272
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.166 1 1
Echinococcus multilocularis musashi 0.0033 0.0034 0.0034
Echinococcus granulosus intermediate filament protein 0.0033 0.0034 0.0034
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0225 0.121 0.1231
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.023 0.0234
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1633 0.9834 1
Schistosoma mansoni hypothetical protein 0.0225 0.121 0.121
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0252 0.1376 0.1376
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1633 0.9834 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.1633 0.9834 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0225 0.121 0.1231
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0225 0.121 1
Echinococcus granulosus lamin dm0 0.0033 0.0034 0.0034
Trichomonas vaginalis O-linked N-acetylglucosamine transferase, ogt, putative 0.0032 0.0029 0.0029
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.166 1 1
Echinococcus granulosus lamin 0.0033 0.0034 0.0034
Trichomonas vaginalis conserved hypothetical protein 0.0225 0.121 0.1231
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0413 0.0419
Brugia malayi Probable ClpP-like protease 0.0094 0.0413 0.0418
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0034 0.0034
Schistosoma mansoni immunophilin 0.166 1 1
Echinococcus multilocularis fk506 binding protein 0.1633 0.9834 0.9834
Loa Loa (eye worm) hypothetical protein 0.0032 0.003 0.0031
Onchocerca volvulus 0.0032 0.0029 0.0236
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0074 0.0287 0.0291
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0413 0.3408
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0225 0.121 0.121
Schistosoma mansoni immunophilin 0.166 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0413 0.0131
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0074 0.0287 0.0287
Schistosoma mansoni fk506 binding protein 0.0225 0.121 0.121
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.1633 0.9834 1
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0225 0.121 0.121
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.1633 0.9834 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0074 0.0287 0.0292
Leishmania major fk506-binding protein 1-like protein 0.1633 0.9834 1
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.1633 0.9834 0.9834
Trichomonas vaginalis fk506-binding protein, putative 0.0225 0.121 0.1231
Mycobacterium ulcerans hypothetical protein 0.0225 0.121 0.0967
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0225 0.121 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0225 0.121 0.1227
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.4936 0.4936
Trichomonas vaginalis immunophilin, putative 0.1633 0.9834 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.0034 0.0034
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0413 0.3408
Trichomonas vaginalis fk506 binding protein, putative 0.0225 0.121 0.1231
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0225 0.121 1
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0225 0.121 0.1231
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.4936 0.4936
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.1633 0.9834 1
Brugia malayi intermediate filament protein 0.0033 0.0034 0.0034
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0225 0.121 0.1231
Schistosoma mansoni immunophilin 0.1436 0.8624 0.8624
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0225 0.121 0.1231
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0225 0.121 0.1231
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.166 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.1633 0.9834 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.1633 0.9834 0.9971
Onchocerca volvulus 0.0033 0.0034 0.0272
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0225 0.121 1
Echinococcus multilocularis stress induced phosphoprotein 1 0.0032 0.0029 0.0029
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1633 0.9834 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0413 0.0419
Trypanosoma brucei hypothetical protein, conserved 0.0225 0.121 0.1231
Trichomonas vaginalis fk506-binding protein, putative 0.0225 0.121 0.1231
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0413 0.0419
Leishmania major stress-inducible protein STI1 homolog 0.0032 0.0029 0.0029
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type (slyD) 0.0225 0.121 0.1231
Schistosoma mansoni intermediate filament proteins 0.0033 0.0034 0.0034
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0225 0.121 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0225 0.121 0.1231
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0074 0.0287 0.0287
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.1633 0.9834 0.9834
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0034 0.0034
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0225 0.121 0.1231
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0225 0.121 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.0413 0.0131
Toxoplasma gondii hypothetical protein 0.0033 0.0034 0.0277
Onchocerca volvulus 0.023 0.124 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0225 0.121 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0413 0.0413
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0213 0.1528
Echinococcus granulosus FK506 binding protein 2 0.0225 0.121 0.121
Schistosoma mansoni DNAj homolog subfamily C member 0.0032 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0094 0.0413 0.0419
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0213 0.0213
Trypanosoma brucei TPR-repeat-containing chaperone protein DNAJ, putative 0.0032 0.0029 0.0029
Echinococcus multilocularis 0.0225 0.121 0.121
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.1638 0.9863 1
Echinococcus granulosus stress induced phosphoprotein 1 0.0032 0.0029 0.0029
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.1633 0.9834 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0225 0.121 0.1231
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0074 0.0287 0.0287
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0225 0.121 1
Schistosoma mansoni lamin 0.0033 0.0034 0.0034
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.1633 0.9834 1
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.1633 0.9834 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0225 0.121 0.1231
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0034 0.0034
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0225 0.121 0.1231
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0413 0.322
Loa Loa (eye worm) FKBP5 protein 0.1633 0.9834 1
Loa Loa (eye worm) hypothetical protein 0.1413 0.8487 0.863
Loa Loa (eye worm) hypothetical protein 0.0033 0.0034 0.0034
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.1633 0.9834 1
Trichomonas vaginalis fk506-binding protein, putative 0.1633 0.9834 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0074 0.0287 0.0739
Trichomonas vaginalis conserved hypothetical protein 0.0225 0.121 0.1231
Onchocerca volvulus 0.0225 0.121 0.9766
Schistosoma mansoni DNAj homolog subfamily C member 0.0032 0.0029 0.0029
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0225 0.121 1

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 4.4668 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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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