Detailed information for compound 1423930

Basic information

Technical information
  • TDR Targets ID: 1423930
  • Name: 6-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocy cloocta[d]thiophen-2-yl)carbamoyl]-7-oxabicyc lo[2.2.1]heptane-5-carboxylic acid
  • MW: 407.481 | Formula: C20H25NO6S
  • H donors: 2 H acceptors: 4 LogP: 3.58 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)O3)sc2c1CCCCCC2
  • InChi: 1S/C20H25NO6S/c1-26-20(25)14-10-6-4-2-3-5-7-13(10)28-18(14)21-17(22)15-11-8-9-12(27-11)16(15)19(23)24/h11-12,15-16H,2-9H2,1H3,(H,21,22)(H,23,24)
  • InChiKey: GWXPNBDKQUNSRF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-[[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[d]thiophen-2-yl)amino]-oxomethyl]-7-oxabicyclo[2.2.1]heptane-5-carboxylic acid
  • 6-[(3-carbomethoxy-4,5,6,7,8,9-hexahydrocycloocta[d]thiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-5-carboxylic acid
  • AK-968/15605493
  • 3-({[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
  • MLS000704289
  • SMR000231217
  • IVK/9141041

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical 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
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 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
Loa Loa (eye worm) hypothetical protein 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
Schistosoma mansoni lamin 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Trichomonas vaginalis phosphatidylinositol-4-phosphate 5-kinase type II, putative 0.0054 0.0219 0.0104
Plasmodium vivax phosphatidylinositol-4-phosphate 5-kinase, putative 0.0054 0.0219 0.4464
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0059 0.0278 0.0361
Brugia malayi MH2 domain containing protein 0.0059 0.0278 0.0278
Onchocerca volvulus Serine\/threonine kinase homolog 0.049 0.5457 0.7089
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0492 1
Brugia malayi Latrophilin receptor protein 2 0.0128 0.1105 0.1105
Loa Loa (eye worm) hypothetical protein 0.0077 0.0492 0.0492
Brugia malayi Pip kinase protein 1 0.0054 0.0219 0.0219
Loa Loa (eye worm) FYVE zinc finger family protein 0.0054 0.0219 0.0219
Echinococcus multilocularis mothers against decapentaplegic 5 0.0059 0.0278 0.0361
Trichomonas vaginalis glutaminase, putative 0.0551 0.6188 1
Schistosoma mansoni tar DNA-binding protein 0.0402 0.4393 0.5707
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0173 0.0225
Brugia malayi RNA recognition motif domain containing protein 0.0402 0.4393 0.4393
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase, putative 0.0054 0.0219 0.0119
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0064 0.0332 0.0432
Brugia malayi latrophilin 2 splice variant baaae 0.0277 0.2891 0.2891
Onchocerca volvulus 0.0677 0.7698 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0128 0.1105 0.1105
Trichomonas vaginalis CAMK family protein kinase 0.049 0.5457 0.8787
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase, putative 0.0054 0.0219 0.0119
Echinococcus granulosus smad 0.0059 0.0278 0.0361
Giardia lamblia Kinase, PLK 0.049 0.5457 1
Mycobacterium ulcerans glutaminase 0.0551 0.6188 1
Trichomonas vaginalis CAMK family protein kinase 0.049 0.5457 0.8787
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase-like, putative 0.0054 0.0219 0.0119
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2587 0.2587
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.0492 0.0639
Echinococcus granulosus TGF beta signal transducer SmadC 0.0059 0.0278 0.0361
Brugia malayi RNA binding protein 0.0402 0.4393 0.4393
Schistosoma mansoni eyes absent homolog 0.0095 0.071 0.0922
Plasmodium falciparum ataxin-2 like protein, putative 0.0077 0.0488 0.9853
Echinococcus multilocularis phosphatidylinositol phosphate 5 kinase type III 0.0054 0.0219 0.0285
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0064 0.0332 0.4144
Loa Loa (eye worm) hypothetical protein 0.0677 0.7698 0.7698
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3004 0.4721
Leishmania major phosphatidylinositol-4-phosphate 5-kinase-like protein 0.0054 0.0219 0.0119
Schistosoma mansoni smad1 5 8 and 0.0059 0.0278 0.0361
Echinococcus granulosus phosphatidylinositol phosphate 5 kinase type III 0.0054 0.0219 0.0285
Brugia malayi hypothetical protein 0.0304 0.3221 0.3221
Brugia malayi Calcitonin receptor-like protein seb-1 0.0405 0.4429 0.4429
Loa Loa (eye worm) FYVE finger-containing phosphoinositide kinase 0.0054 0.0219 0.0219
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0054 0.0219 0.0285
Schistosoma mansoni phosphatidylinositol-4-phosphate-5-kinaseputativ e 0.0054 0.0219 0.0285
Loa Loa (eye worm) glutaminase 2 0.0551 0.6188 0.6188
Plasmodium vivax hypothetical protein, conserved 0.0054 0.0219 0.4464
Brugia malayi MH1 domain containing protein 0.0059 0.0278 0.0278
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0128 0.1105 0.1436
Entamoeba histolytica hypothetical protein 0.0372 0.4042 0.7299
Schistosoma mansoni hypothetical protein 0.0128 0.1105 0.1436
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0064 0.0332 0.0332
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0372 0.4042 0.5251
Loa Loa (eye worm) Smad1 0.0059 0.0278 0.0278
Loa Loa (eye worm) isocitrate dehydrogenase 0.0064 0.0332 0.0332
Brugia malayi hypothetical protein 0.0077 0.0488 0.0488
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0064 0.0332 0.0332
Echinococcus granulosus serine:threonine protein kinase PLK1 0.049 0.5457 0.7089
Plasmodium falciparum ataxin-2 like protein, putative 0.0077 0.0488 0.9853
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0173 0.0944
Echinococcus granulosus mothers against decapentaplegic 5 0.0059 0.0278 0.0361
Brugia malayi isocitrate dehydrogenase 0.0064 0.0332 0.0332
Trypanosoma cruzi polo-like protein kinase, putative 0.049 0.5457 1
Loa Loa (eye worm) glutaminase 0.0551 0.6188 0.6188
Loa Loa (eye worm) hypothetical protein 0.0405 0.4429 0.4429
Trypanosoma cruzi polo-like protein kinase, putative 0.049 0.5457 1
Trypanosoma cruzi hypothetical protein, conserved 0.0426 0.4687 0.8547
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0677 0.7698 1
Echinococcus granulosus GPCR family 2 0.0128 0.1105 0.1436
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0064 0.0332 0.0215
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0064 0.0332 0.6758
Echinococcus multilocularis isocitrate dehydrogenase 0.0064 0.0332 0.0432
Loa Loa (eye worm) hypothetical protein 0.0277 0.2891 0.2891
Entamoeba histolytica hypothetical protein 0.0372 0.4042 0.7299
Brugia malayi hypothetical protein 0.0372 0.4042 0.4042
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.0492 1
Echinococcus multilocularis smad 0.0059 0.0278 0.0361
Toxoplasma gondii LsmAD domain-containing protein 0.0077 0.0488 0.9919
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0054 0.0219 0.0285
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase-like, putative 0.0054 0.0219 0.0119
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.0488 0.0625
Leishmania major phosphatidylinositol-4-phosphate-5-kinase-likep ro tein 0.0054 0.0219 0.0119
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.049 0.5457 0.5457
Loa Loa (eye worm) latrophilin receptor protein 2 0.0128 0.1105 0.1105
Schistosoma mansoni hypothetical protein 0.0277 0.2891 0.3755
Trichomonas vaginalis CAMK family protein kinase 0.049 0.5457 0.8787
Toxoplasma gondii phosphatidylinositol-4-phosphate 5-Kinase 0.0054 0.0219 0.4464
Leishmania major phosphatidylinositol (3,5) kinase, putative 0.0054 0.0219 0.0119
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0492 0.0556
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.0492 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0868 1 1
Echinococcus granulosus citrate lyase subunit beta protein 0.0049 0.0156 0.0203
Toxoplasma gondii isocitrate dehydrogenase 0.0064 0.0332 0.6758
Trypanosoma brucei hypothetical protein, conserved 0.0426 0.4687 0.853
Trichomonas vaginalis CAMK family protein kinase 0.049 0.5457 0.8787
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.0492 0.0639
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0064 0.0332 1
Brugia malayi FYVE finger-containing phosphoinositide kinase, putative 0.0054 0.0219 0.0219
Echinococcus multilocularis tar DNA binding protein 0.0402 0.4393 0.5707
Trypanosoma brucei PAB1-binding protein , putative 0.0077 0.0488 0.0512
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.0488 0.0625
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0064 0.0332 0.0332
Trypanosoma cruzi hypothetical protein, conserved 0.0426 0.4687 0.8547
Toxoplasma gondii phosphatidylinositol-4-phosphate 5-kinase 0.0054 0.0219 0.4464
Schistosoma mansoni smad 0.0059 0.0278 0.0361
Trypanosoma brucei polo-like protein kinase 0.049 0.5457 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0064 0.0332 0.0432
Plasmodium vivax ataxin-2 like protein, putative 0.0077 0.0488 0.9919
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0492 1
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase, putative 0.0054 0.0219 0.0119
Trichomonas vaginalis CAMK family protein kinase 0.049 0.5457 0.8787
Echinococcus multilocularis Phosphatidylinositol 4 phosphate 5 kinase type 1 0.0054 0.0219 0.0285
Brugia malayi serine/threonine-protein kinase plk-2 0.049 0.5457 0.5457
Schistosoma mansoni hypothetical protein 0.0128 0.1105 0.1436
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0128 0.1105 0.1436
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0064 0.0332 0.0432
Echinococcus multilocularis citrate lyase subunit beta protein 0.0049 0.0156 0.0203
Loa Loa (eye worm) pip kinase 1 0.0054 0.0219 0.0219
Loa Loa (eye worm) MH2 domain-containing protein 0.0059 0.0278 0.0278
Loa Loa (eye worm) hypothetical protein 0.0304 0.3221 0.3221
Brugia malayi TAR-binding protein 0.0402 0.4393 0.4393
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0064 0.0332 0.0215
Toxoplasma gondii phosphatidylinositol-4-phosphate 5-Kinase 0.0054 0.0219 0.4464
Schistosoma mansoni glutaminase 0.0551 0.6188 0.8039
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.0492 0.0639
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0372 0.4042 0.5251
Loa Loa (eye worm) transcription factor SMAD2 0.0868 1 1
Brugia malayi MH2 domain containing protein 0.0059 0.0278 0.0278
Echinococcus multilocularis Smad4 0.0059 0.0278 0.0361
Schistosoma mansoni tar DNA-binding protein 0.0402 0.4393 0.5707
Echinococcus multilocularis GPCR, family 2 0.0128 0.1105 0.1436
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0402 0.4393 0.4393
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0677 0.7698 1
Schistosoma mansoni serine/threonine protein kinase 0.049 0.5457 0.7089
Onchocerca volvulus 0.0286 0.3004 0.3902
Schistosoma mansoni transcription factor LCR-F1 0.0372 0.4042 0.5251
Leishmania major hypothetical protein, conserved 0.0426 0.4687 0.8547
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0677 0.7698 1
Brugia malayi Pre-SET motif family protein 0.0251 0.2587 0.2587
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase type II beta, putative 0.0054 0.0219 0.0119
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0492 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0128 0.1105 0.1436
Leishmania major hypothetical protein, conserved 0.0077 0.0488 0.0625
Entamoeba histolytica serine/threonine protein kinase, putative 0.049 0.5457 1
Schistosoma mansoni smad1 5 8 and 0.0059 0.0278 0.0361
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0064 0.0332 0.0432
Brugia malayi glutaminase DH11.1 0.0551 0.6188 0.6188
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0173 0.0225
Loa Loa (eye worm) RNA binding protein 0.0402 0.4393 0.4393
Schistosoma mansoni Smad4 0.0059 0.0278 0.0361
Brugia malayi Probable ClpP-like protease 0.0077 0.0492 0.0492
Schistosoma mansoni tar DNA-binding protein 0.0402 0.4393 0.5707
Leishmania major phosphatidylinositol-4-phosphate 5-kinase-like, putative 0.0054 0.0219 0.0119
Trichomonas vaginalis CAMK family protein kinase 0.049 0.5457 0.8787
Trichomonas vaginalis CAMK family protein kinase 0.049 0.5457 0.8787
Trichomonas vaginalis phosphatidylinositol-4-phosphate 5-kinase type II, putative 0.0054 0.0219 0.0104
Trypanosoma cruzi phosphatidylinositol (3,5) kinase, putative 0.0054 0.0219 0.0119
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0059 0.0278 0.0361
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.049 0.5457 0.7089
Loa Loa (eye worm) MH1 domain-containing protein 0.0059 0.0278 0.0278
Toxoplasma gondii isocitrate dehydrogenase 0.0064 0.0332 0.6758
Schistosoma mansoni smad1 5 8 and 0.0059 0.0278 0.0361
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0677 0.7698 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.071 0.071
Schistosoma mansoni tar DNA-binding protein 0.0402 0.4393 0.5707
Brugia malayi hypothetical protein 0.0049 0.0161 0.0161
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0128 0.1105 0.1436
Loa Loa (eye worm) pip kinase 2 0.0677 0.7698 0.7698
Schistosoma mansoni tar DNA-binding protein 0.0402 0.4393 0.5707
Brugia malayi Pip kinase protein 2 0.0677 0.7698 0.7698
Loa Loa (eye worm) TAR-binding protein 0.0402 0.4393 0.4393
Onchocerca volvulus 0.0304 0.3221 0.4185
Schistosoma mansoni kinase 0.0249 0.256 0.3326
Schistosoma mansoni hypothetical protein 0.0128 0.1105 0.1436
Loa Loa (eye worm) hypothetical protein 0.0077 0.0488 0.0488
Schistosoma mansoni hypothetical protein 0.0372 0.4042 0.5251
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0405 0.4429 0.4429
Loa Loa (eye worm) hypothetical protein 0.0095 0.071 0.071
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0492 0.5
Schistosoma mansoni hypothetical protein 0.0128 0.1105 0.1436
Brugia malayi Smad1 0.0059 0.0278 0.0278
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type I 0.0054 0.0219 0.0285
Entamoeba histolytica hypothetical protein 0.0372 0.4042 0.7299
Echinococcus granulosus tar DNA binding protein 0.0402 0.4393 0.5707
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0173 0.0944
Trichomonas vaginalis CAMK family protein kinase 0.0243 0.2482 0.3856
Brugia malayi Isocitrate dehydrogenase 0.0064 0.0332 0.0332
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0405 0.4429 0.4429
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0064 0.0332 0.0432
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.049 0.5457 1
Brugia malayi hypothetical protein 0.0095 0.071 0.071
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0492 1
Echinococcus granulosus Smad4 0.0059 0.0278 0.0361
Trypanosoma cruzi phosphatidylinositol 4-phosphate 5-kinase alpha, putative 0.0054 0.0219 0.0119
Loa Loa (eye worm) hypothetical protein 0.0128 0.1105 0.1105
Entamoeba histolytica hypothetical protein 0.0372 0.4042 0.7299
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0492 0.0556
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.0492 1
Echinococcus granulosus Phosphatidylinositol 4 phosphate 5 kinase type 1 0.0054 0.0219 0.0285
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0492 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0243 0.2482 0.3856
Brugia malayi MH1 domain containing protein 0.0059 0.0278 0.0278
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0064 0.0332 0.0432

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 48.91 um PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminopeptidase (M17LAP). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4716 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) 3.2944 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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) 17.7828 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) 39.8107 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) 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.
 
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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