Detailed information for compound 1422593

Basic information

Technical information
  • TDR Targets ID: 1422593
  • Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[5-[3-(t rifluoromethyl)phenyl]furan-2-yl]methanone
  • MW: 418.366 | Formula: C21H17F3N2O4
  • H donors: 0 H acceptors: 2 LogP: 3.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(o1)c1cccc(c1)C(F)(F)F)N1CCN(CC1)C(=O)c1ccco1
  • InChi: 1S/C21H17F3N2O4/c22-21(23,24)15-4-1-3-14(13-15)16-6-7-18(30-16)20(28)26-10-8-25(9-11-26)19(27)17-5-2-12-29-17/h1-7,12-13H,8-11H2
  • InChiKey: CTRPNAIRSXZLPI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [4-(furan-2-carbonyl)piperazin-1-yl]-[5-[3-(trifluoromethyl)phenyl]-2-furyl]methanone
  • [4-(2-furyl-oxomethyl)-1-piperazinyl]-[5-[3-(trifluoromethyl)phenyl]-2-furyl]methanone
  • (4-furan-2-ylcarbonylpiperazin-1-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1265 0.6457 1
Schistosoma mansoni tar DNA-binding protein 0.0585 0.2916 0.4292
Brugia malayi MH2 domain containing protein 0.0047 0.0114 0.0109
Schistosoma mansoni Smad4 0.0047 0.0114 0.0168
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0054 0.0151 0.0146
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0027 0.0007 0.0003
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0054 0.0151 0.0227
Echinococcus granulosus tumor protein p63 0.0332 0.1597 0.2467
Schistosoma mansoni tar DNA-binding protein 0.0585 0.2916 0.4292
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0054 0.0151 0.0146
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0027 0.0007 0.0004
Loa Loa (eye worm) RasGEF domain-containing protein 0.0027 0.0007 0.0003
Brugia malayi Isocitrate dehydrogenase 0.0173 0.0769 0.0764
Trypanosoma cruzi Valosin-containing protein, putative 0.0242 0.1127 1
Echinococcus multilocularis Smad4 0.0106 0.0418 0.0641
Loa Loa (eye worm) hypothetical protein 0.0047 0.0114 0.011
Trichomonas vaginalis 26S protease regulatory subunit S10b, putative 0.006 0.0182 0.0662
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0095 0.0005
Mycobacterium leprae Probable lipase LipE 0.0043 0.0095 0.5
Entamoeba histolytica hypothetical protein 0.0071 0.0239 0.2072
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0095 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0162 0.0261
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0105 0.0417 0.0614
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0106 0.0418 0.0641
Schistosoma mansoni dishevelled 0.0037 0.0062 0.0092
Trypanosoma cruzi hypothetical protein, conserved 0.0211 0.0966 0.8564
Brugia malayi latrophilin 2 splice variant baaae 0.1329 0.6794 0.6793
Schistosoma mansoni dishevelled 0.0037 0.0062 0.0092
Loa Loa (eye worm) hypothetical protein 0.0232 0.1078 0.1074
Loa Loa (eye worm) hypothetical protein 0.0027 0.0007 0.0003
Schistosoma mansoni Smad4 0.0047 0.0114 0.0168
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0054 0.0151 0.0223
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0173 0.0769 0.1184
Loa Loa (eye worm) hypothetical protein 0.0043 0.0095 0.0091
Echinococcus multilocularis isocitrate dehydrogenase 0.0173 0.0769 0.1184
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0054 0.0151 0.0146
Echinococcus granulosus mothers against decapentaplegic 5 0.0106 0.0418 0.0641
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0054 0.0151 0.0546
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0027 0.0007 0.001
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0173 0.0769 0.1184
Mycobacterium tuberculosis Putative conserved ATPase 0.0152 0.0662 0.4649
Onchocerca volvulus 0.0462 0.2275 0.5964
Schistosoma mansoni serine/threonine protein kinase 0.0091 0.0344 0.0506
Mycobacterium ulcerans glutaminase 0.0535 0.2655 1
Echinococcus granulosus dna polymerase eta 0.0044 0.0095 0.014
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0242 0.1127 0.1659
Mycobacterium ulcerans ATPase 0.0152 0.0662 0.2217
Loa Loa (eye worm) G protein alpha subunit 3 0.0054 0.0151 0.0148
Leishmania major hypothetical protein, conserved 0.0211 0.0966 0.8536
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0054 0.0151 0.0546
Loa Loa (eye worm) hypothetical protein 0.0462 0.2275 0.2272
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1945 1 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.0006 0.0009
Schistosoma mansoni ras GTP exchange factor 0.0027 0.0007 0.001
Onchocerca volvulus 0.0027 0.0007 0.0004
Loa Loa (eye worm) DIX domain-containing protein 0.0037 0.0062 0.0059
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.0242 0.1127 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0095 0.0091
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1265 0.6457 0.9504
Loa Loa (eye worm) RasGEF domain-containing protein 0.0027 0.0007 0.0003
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0054 0.0151 0.0227
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0069 0.0228 0.0345
Loa Loa (eye worm) hypothetical protein 0.0054 0.0151 0.0148
Brugia malayi MH2 domain containing protein 0.0106 0.0418 0.0413
Schistosoma mansoni tar DNA-binding protein 0.0585 0.2916 0.4292
Echinococcus multilocularis geminin 0.0346 0.167 0.2581
Echinococcus multilocularis ras GTP exchange factor 0.0027 0.0007 0.0003
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0095 0.0333
Brugia malayi G-protein alpha subunit 0.0054 0.0151 0.0146
Echinococcus granulosus intermediate filament protein 0.0026 0.0006 0.0002
Onchocerca volvulus 0.0047 0.0115 0.0289
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0054 0.0151 0.0146
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0105 0.0417 0.0639
Echinococcus granulosus Pleckstrin G protein interacting region 0.0037 0.0062 0.0089
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0054 0.0151 0.0546
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0615 0.3074 0.4757
Schistosoma mansoni lamin 0.0026 0.0006 0.0009
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0037 0.0062 0.0059
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0054 0.0151 0.0546
Echinococcus granulosus segment polarity protein dishevelled 0.0037 0.0062 0.0089
Echinococcus multilocularis Protein son of sevenless 0.0027 0.0007 0.0003
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0095 0.0333
Loa Loa (eye worm) hypothetical protein 0.0043 0.0095 0.0091
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0255 0.1195 0.1759
Loa Loa (eye worm) hypothetical protein 0.0043 0.0095 0.0091
Brugia malayi RNA binding protein 0.0585 0.2916 0.2912
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.0162 0.0238
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1265 0.6457 0.9504
Brugia malayi MH1 domain containing protein 0.0106 0.0418 0.0413
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0173 0.0769 0.2177
Loa Loa (eye worm) hypothetical protein 0.0757 0.3811 0.3808
Leishmania major hypothetical protein, conserved 0.0154 0.067 0.5839
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0095 0.009
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0037 0.0062 0.0151
Loa Loa (eye worm) hypothetical protein 0.0037 0.0062 0.0059
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0095 0.0333
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0095 0.0792
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0173 0.0769 0.6807
Schistosoma mansoni GTP-binding protein alpha subunit 0.0054 0.0151 0.0223
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0095 0.009
Toxoplasma gondii cell division protein CDC48CY 0.0255 0.1195 1
Brugia malayi follicle stimulating hormone receptor 0.023 0.1065 0.1061
Schistosoma mansoni z-protein (S1r protein) 0.0037 0.0062 0.0092
Echinococcus granulosus neuropeptide receptor A26 0.0459 0.2259 0.3493
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0054 0.0151 0.0546
Schistosoma mansoni smad1 5 8 and 0.0106 0.0418 0.0616
Echinococcus granulosus smad 0.0106 0.0418 0.0641
Echinococcus granulosus son of sevenless 1 0.0027 0.0007 0.0003
Schistosoma mansoni GTP-binding protein alpha subunit 0.0054 0.0151 0.0223
Trypanosoma cruzi PAB1-binding protein , putative 0.0154 0.067 0.5918
Echinococcus multilocularis smad 0.0106 0.0418 0.0641
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0162 0.0261
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0028 0.0189
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0027 0.0007 0.001
Onchocerca volvulus 0.0054 0.0151 0.0385
Loa Loa (eye worm) hypothetical protein 0.0043 0.0095 0.0091
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0047 0.0114 0.0287
Onchocerca volvulus 0.0043 0.0095 0.0236
Brugia malayi hypothetical protein 0.0099 0.0386 0.0381
Schistosoma mansoni tar DNA-binding protein 0.0585 0.2916 0.4292
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0239 0.0362
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0054 0.0151 0.0148
Onchocerca volvulus 0.0043 0.0095 0.0236
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0585 0.2916 0.2913
Loa Loa (eye worm) hypothetical protein 0.0054 0.0151 0.0148
Brugia malayi RasGEF domain containing protein 0.0027 0.0007 0.0002
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0037 0.0062 0.0057
Brugia malayi beta-lactamase family protein 0.0043 0.0095 0.009
Giardia lamblia AAA family ATPase 0.0152 0.0662 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0173 0.0769 0.0766
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0027 0.0007 0.001
Echinococcus multilocularis regulator of G protein signaling 7 0.0037 0.0062 0.0089
Loa Loa (eye worm) hypothetical protein 0.0154 0.067 0.0666
Schistosoma mansoni tar DNA-binding protein 0.0585 0.2916 0.4292
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0054 0.0151 0.0546
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0054 0.0151 0.0223
Brugia malayi glutaminase DH11.1 0.0535 0.2655 0.2651
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.1078 0.1663
Loa Loa (eye worm) hypothetical protein 0.0037 0.0062 0.0059
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0054 0.0151 0.0227
Onchocerca volvulus 0.0026 0.0006 0.0003
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0095 0.0787
Brugia malayi regulator of G-protein signaling egl-10 0.0037 0.0062 0.0057
Schistosoma mansoni smad1 5 8 and 0.0106 0.0418 0.0616
Brugia malayi DIX domain containing protein 0.0037 0.0062 0.0057
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0054 0.0151 0.0223
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0173 0.0769 0.5523
Loa Loa (eye worm) beta-lactamase 0.0043 0.0095 0.0091
Schistosoma mansoni hypothetical protein 0.0615 0.3074 0.4525
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.0162 0.0548
Schistosoma mansoni hypothetical protein 0.0615 0.3074 0.4525
Trichomonas vaginalis proteasome-activating nucleotidase, putative 0.006 0.0182 0.0662
Loa Loa (eye worm) nuclear factor I 0.0058 0.0173 0.0169
Loa Loa (eye worm) hypothetical protein 0.0037 0.0062 0.0059
Loa Loa (eye worm) MH1 domain-containing protein 0.0047 0.0114 0.011
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0142 0.0138
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0344 0.1273
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0037 0.0062 0.0089
Entamoeba histolytica G protein alpha subunit, putative 0.0054 0.0151 0.1292
Schistosoma mansoni smad1 5 8 and 0.0106 0.0418 0.0616
Loa Loa (eye worm) vesicle-fusing ATPase 0.0149 0.0647 0.0643
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0121 0.0179
Echinococcus multilocularis neuropeptide receptor A26 0.0459 0.2259 0.3493
Loa Loa (eye worm) hypothetical protein 0.0026 0.0005 0.0001
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0054 0.0151 0.0148
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0095 0.0787
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0037 0.0062 0.0092
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0054 0.0151 0.0146
Loa Loa (eye worm) transcription factor SMAD2 0.1549 0.794 0.7939
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.1265 0.6457 0.6456
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0162 0.0243
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1265 0.6457 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0091 0.0344 0.089
Brugia malayi RNA recognition motif domain containing protein 0.0585 0.2916 0.2912
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1316 1
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.0105 0.0417 0.0412
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0054 0.0151 0.0223
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0095 0.014
Toxoplasma gondii isocitrate dehydrogenase 0.0173 0.0769 0.635
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0027 0.0007 0.001
Brugia malayi hypothetical protein 0.0462 0.2275 0.2271
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.1265 0.6457 0.9504
Schistosoma mansoni smad 0.0047 0.0114 0.0168
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0091 0.0344 0.034
Echinococcus granulosus mothers against decapentaplegic 6 0.0047 0.0114 0.0169
Loa Loa (eye worm) RNA binding protein 0.0585 0.2916 0.2913
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0026 0.0005 0.0001
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0054 0.0151 0.0223
Loa Loa (eye worm) RasGEF domain-containing protein 0.0027 0.0007 0.0003
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0095 0.0333
Loa Loa (eye worm) follicle stimulating hormone receptor 0.023 0.1065 0.1062
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0054 0.0151 0.0148
Loa Loa (eye worm) MH2 domain-containing protein 0.1549 0.794 0.7939
Brugia malayi TAR-binding protein 0.0585 0.2916 0.2912
Echinococcus multilocularis son of sevenless 1 0.0027 0.0007 0.0003
Schistosoma mansoni hypothetical protein 0.0346 0.167 0.2458
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0173 0.0769 0.1184
Loa Loa (eye worm) hypothetical protein 0.0049 0.0121 0.0118
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0054 0.0151 0.0223
Brugia malayi hypothetical protein 0.0232 0.1078 0.1073
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0054 0.0151 0.0146
Loa Loa (eye worm) glutaminase 0.0535 0.2655 0.2652
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0095 0.0139
Schistosoma mansoni kinase 0.0046 0.011 0.0162
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.0152 0.0662 0.5436
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0006 0.0001
Schistosoma mansoni hypothetical protein 0.0615 0.3074 0.4525
Schistosoma mansoni dep domain containing protein 0.0037 0.0062 0.0092
Brugia malayi N-terminal motif family protein 0.0027 0.0007 0.0002
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.0344 0.301
Toxoplasma gondii ABC1 family protein 0.0043 0.0095 0.0574
Schistosoma mansoni hypothetical protein 0.0346 0.167 0.2458
Brugia malayi hypothetical protein 0.0054 0.0151 0.0146
Schistosoma mansoni hypothetical protein 0.0047 0.0115 0.0169
Echinococcus granulosus ras GTP exchange factor 0.0027 0.0007 0.0003
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0344 0.1273
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.0242 0.1127 1
Brugia malayi MH1 domain containing protein 0.0106 0.0418 0.0413
Loa Loa (eye worm) hypothetical protein 0.0027 0.0007 0.0003
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.0344 0.301
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0162 0.0243
Echinococcus granulosus expressed protein 0.0054 0.0151 0.0227
Schistosoma mansoni regulator of G protein signaling 0.0037 0.0062 0.0092
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.1078 0.1663
Brugia malayi isocitrate dehydrogenase 0.0173 0.0769 0.0764
Loa Loa (eye worm) MH2 domain-containing protein 0.0106 0.0418 0.0415
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0615 0.3074 0.4757
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0054 0.0151 0.0546
Trichomonas vaginalis esterase, putative 0.0043 0.0095 0.0333
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0173 0.0769 0.1184
Brugia malayi N-terminal motif family protein 0.0027 0.0007 0.0002
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0054 0.0151 0.0223
Schistosoma mansoni Smad4 0.0106 0.0418 0.0616
Loa Loa (eye worm) TAR-binding protein 0.0585 0.2916 0.2913
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0344 0.1273
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.0104 0.0366
Echinococcus multilocularis tar DNA binding protein 0.0585 0.2916 0.4512
Echinococcus multilocularis mothers against decapentaplegic 5 0.0106 0.0418 0.0641
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0054 0.0151 0.0148
Echinococcus multilocularis segment polarity protein dishevelled 0.0037 0.0062 0.0089
Echinococcus granulosus lamin 0.0026 0.0006 0.0002
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0757 0.3811 1
Loa Loa (eye worm) hypothetical protein 0.1329 0.6794 0.6793
Trichomonas vaginalis glutaminase, putative 0.0535 0.2655 1
Echinococcus multilocularis mothers against decapentaplegic 6 0.0047 0.0114 0.0169
Trypanosoma cruzi hypothetical protein, conserved 0.0211 0.0966 0.8564
Loa Loa (eye worm) MH2 domain-containing protein 0.0047 0.0114 0.011
Brugia malayi intermediate filament protein 0.0026 0.0006 0.0001
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0344 0.1273
Loa Loa (eye worm) hypothetical protein 0.0054 0.0151 0.0148
Brugia malayi MH2 domain containing protein 0.0106 0.0418 0.0413
Brugia malayi hypothetical protein 0.0071 0.0239 0.0234
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0173 0.0769 0.6807
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.1265 0.6457 0.6456
Echinococcus granulosus Protein son of sevenless 0.0027 0.0007 0.0003
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0054 0.0151 0.0223
Brugia malayi RasGEF domain containing protein 0.0027 0.0007 0.0002
Loa Loa (eye worm) Smad1 0.0106 0.0418 0.0415
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0054 0.0151 0.0146
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0054 0.0151 0.0227
Brugia malayi hypothetical protein 0.0037 0.0062 0.0057
Trypanosoma brucei PAB1-binding protein , putative 0.0154 0.067 0.5569
Echinococcus granulosus tar DNA binding protein 0.0585 0.2916 0.4512
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0027 0.0007 0.0003
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0054 0.0151 0.0146
Loa Loa (eye worm) glutaminase 2 0.0535 0.2655 0.2652
Echinococcus multilocularis GPCR, family 2 0.0615 0.3074 0.4757
Brugia malayi mothers against decapentaplegic homolog 3 0.0047 0.0114 0.0109
Toxoplasma gondii hypothetical protein 0.0037 0.0062 0.0296
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0344 0.1273
Onchocerca volvulus 0.0037 0.0062 0.0151
Echinococcus granulosus transitional endoplasmic reticulum atpase 0.0255 0.1195 0.1844
Schistosoma mansoni hypothetical protein 0.1329 0.6794 1
Entamoeba histolytica hypothetical protein 0.0071 0.0239 0.2072
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0054 0.0151 0.0146
Echinococcus granulosus neuropeptide s receptor 0.0459 0.2259 0.3493
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0006 0.0003
Loa Loa (eye worm) VCP protein 0.0105 0.0417 0.0413
Echinococcus granulosus lamin dm0 0.0026 0.0006 0.0002
Echinococcus granulosus segment polarity protein dishevelled 0.0037 0.0062 0.0089
Onchocerca volvulus 0.0054 0.0151 0.0385
Trypanosoma brucei Valosin-containing protein 0.0242 0.1127 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0615 0.3074 0.4757
Trypanosoma brucei polo-like protein kinase 0.0091 0.0344 0.2412
Brugia malayi hypothetical protein 0.0154 0.067 0.0665
Loa Loa (eye worm) hypothetical protein 0.0615 0.3074 0.3071
Entamoeba histolytica hypothetical protein 0.0071 0.0239 0.2072
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0054 0.0151 0.0223
Schistosoma mansoni lamin 0.0026 0.0006 0.0009
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0239 0.0352
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0054 0.0151 0.0223
Onchocerca volvulus 0.0049 0.0121 0.0306
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0095 0.0139
Echinococcus multilocularis lamin dm0 0.0026 0.0006 0.0002
Trichomonas vaginalis spermatogenesis associated factor, putative 0.0255 0.1195 0.4488
Schistosoma mansoni DNA polymerase eta 0.0044 0.0095 0.014
Echinococcus granulosus geminin 0.0346 0.167 0.2581
Brugia malayi RasGEF domain containing protein 0.0027 0.0007 0.0002
Echinococcus granulosus Smad4 0.0106 0.0418 0.0641
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0344 0.1273
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0095 0.014
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0054 0.0151 0.0223
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0173 0.0769 0.6745
Schistosoma mansoni survival motor neuron protein 0.0047 0.0115 0.0169
Echinococcus granulosus regulator of G protein signaling 7 0.0037 0.0062 0.0089
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0054 0.0151 0.0227
Loa Loa (eye worm) hypothetical protein 0.0054 0.0151 0.0148
Brugia malayi N-terminal motif family protein 0.0757 0.3811 0.3808
Brugia malayi MH1 domain containing protein 0.0058 0.0173 0.0168
Onchocerca volvulus 0.0026 0.0006 0.0003
Brugia malayi beta-lactamase 0.0043 0.0095 0.009
Brugia malayi Latrophilin receptor protein 2 0.0615 0.3074 0.3071
Loa Loa (eye worm) MH1 domain-containing protein 0.0106 0.0418 0.0415
Toxoplasma gondii LsmAD domain-containing protein 0.0154 0.067 0.5498
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0173 0.0769 0.1132
Onchocerca volvulus 0.0054 0.0151 0.0385
Loa Loa (eye worm) hypothetical protein 0.0043 0.0095 0.0091
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.497 0.7695
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0027 0.0007 0.0003
Brugia malayi hypothetical protein 0.0037 0.0062 0.0057
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0054 0.0151 0.0227
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0054 0.0151 0.0227
Trypanosoma cruzi PAB1-binding protein , putative 0.0154 0.067 0.5918
Loa Loa (eye worm) hypothetical protein 0.1945 1 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.0162 0.0157
Echinococcus multilocularis dna polymerase eta 0.0044 0.0095 0.014
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0054 0.0151 0.0227
Echinococcus granulosus TGF beta signal transducer SmadC 0.0106 0.0418 0.0641
Schistosoma mansoni smad 0.0106 0.0418 0.0616
Loa Loa (eye worm) hypothetical protein 0.0044 0.0095 0.0092
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0173 0.0769 0.6534
Loa Loa (eye worm) hypothetical protein 0.0043 0.0095 0.0091
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0239 0.0362
Schistosoma mansoni glutaminase 0.0535 0.2655 0.3907
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.0162 0.1218
Loa Loa (eye worm) hypothetical protein 0.0054 0.0151 0.0148
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0255 0.1195 0.1844
Brugia malayi MH2 domain containing protein 0.1549 0.794 0.7939
Brugia malayi MH1 domain containing protein 0.0058 0.0173 0.0168
Brugia malayi Smad1 0.0106 0.0418 0.0413
Schistosoma mansoni hypothetical protein 0.0069 0.0228 0.0335
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0006 0.0003
Onchocerca volvulus 0.0043 0.0095 0.0236
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.1265 0.6457 1
Brugia malayi beta-lactamase family protein 0.0043 0.0095 0.009
Loa Loa (eye worm) latrophilin receptor protein 2 0.0615 0.3074 0.3071
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.1265 0.6457 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0091 0.0344 0.0525
Loa Loa (eye worm) hypothetical protein 0.0058 0.0173 0.0169
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.0255 0.1195 0.3127
Echinococcus multilocularis musashi 0.0026 0.0006 0.0002
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0615 0.3074 0.3071
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0054 0.0151 0.0546
Plasmodium vivax cell division cycle ATPase, putative 0.0092 0.0349 0.246
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.0344 0.1273
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0106 0.0418 0.0616
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0054 0.0151 0.0227
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.0104 0.0366
Leishmania major hypothetical protein, conserved 0.0043 0.0095 0.061
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0173 0.0769 0.1184
Toxoplasma gondii isocitrate dehydrogenase 0.0173 0.0769 0.635
Trypanosoma brucei hypothetical protein, conserved 0.0211 0.0966 0.8441
Brugia malayi vesicle-fusing ATPase 0.0149 0.0647 0.0642
Plasmodium vivax ataxin-2 like protein, putative 0.0154 0.067 0.5569
Echinococcus multilocularis regulator of G protein signaling 7 0.0037 0.0062 0.0089
Schistosoma mansoni hypothetical protein 0.0615 0.3074 0.4525
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0095 0.0333
Entamoeba histolytica cdc48-like protein, putative 0.0242 0.1127 1
Echinococcus multilocularis neuropeptide s receptor 0.0459 0.2259 0.3493
Echinococcus multilocularis mothers against decapentaplegic 2 0.0047 0.0114 0.0169
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.0242 0.1127 1
Echinococcus granulosus mothers against decapentaplegic 2 0.0047 0.0114 0.0169
Loa Loa (eye worm) hypothetical protein 0.0149 0.0647 0.0643
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0115 0.011
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0037 0.0062 0.0057
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.0242 0.1127 1
Echinococcus granulosus regulator of G protein signaling 7 0.0037 0.0062 0.0089
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0054 0.0151 0.0227
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0173 0.0769 0.6534
Echinococcus multilocularis expressed protein 0.0054 0.0151 0.0227
Echinococcus granulosus GPCR family 2 0.0615 0.3074 0.4757
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0615 0.3074 0.4757
Toxoplasma gondii cell division protein CDC48AP 0.0152 0.0662 0.5436
Echinococcus multilocularis segment polarity protein dishevelled 0.0037 0.0062 0.0089
Brugia malayi Calcitonin receptor-like protein seb-1 0.1945 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0091 0.0344 0.2875
Brugia malayi valosin containing protein 0.0149 0.0646 0.0642
Brugia malayi serine/threonine-protein kinase plk-2 0.0091 0.0344 0.0339
Echinococcus multilocularis tumor protein p63 0.0332 0.1597 0.2467
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0027 0.0007 0.0003
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0091 0.0344 0.0525
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0173 0.0769 0.6534
Loa Loa (eye worm) hypothetical protein 0.0026 0.0006 0.0003
Schistosoma mansoni hypothetical protein 0.0071 0.0239 0.0352
Echinococcus multilocularis lamin 0.0026 0.0006 0.0002
Leishmania major DNA polymerase eta, putative 0.0044 0.0095 0.0614
Entamoeba histolytica hypothetical protein 0.0071 0.0239 0.2072
Entamoeba histolytica serine/threonine protein kinase, putative 0.0091 0.0344 0.301
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0069 0.0228 0.0345

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 8.1961 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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 25.1189 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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
Homo sapiens 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.