Detailed information for compound 68417

Basic information

Technical information
  • TDR Targets ID: 68417
  • Name: 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrazo l-3-yl]aniline
  • MW: 355.388 | Formula: C19H21N3O4
  • H donors: 1 H acceptors: 1 LogP: 2.76 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)n1nccc1c1ccc(c(c1)N)OC
  • InChi: 1S/C19H21N3O4/c1-23-16-6-5-12(9-14(16)20)15-7-8-21-22(15)13-10-17(24-2)19(26-4)18(11-13)25-3/h5-11H,20H2,1-4H3
  • InChiKey: VEGVQAZWJYWJRM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)-3-pyrazolyl]aniline
  • [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrazol-3-yl]phenyl]amine

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi Matrixin family protein 0.0089 0.083 0.3145
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.0228 0.0613
Echinococcus multilocularis SAM and MBT domain containing protein 0.0054 0.0401 0.0401
Schistosoma mansoni rab6-interacting 0.0022 0.001 0.0028
Loa Loa (eye worm) 6-phosphofructokinase 0.0123 0.1253 0.4744
Trichomonas vaginalis AGC family protein kinase 0.003 0.0099 0.0027
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0152 0.0402
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0142 0.8172
Brugia malayi Matrixin family protein 0.0089 0.083 0.3145
Echinococcus multilocularis 6 phosphofructokinase 0.0123 0.1253 0.1253
Brugia malayi 6-phosphofructokinase 0.0123 0.1253 0.4744
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.003 0.0099 0.0374
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0213 0.2359 0.6347
Trichomonas vaginalis AGC family protein kinase 0.003 0.0099 0.0027
Brugia malayi 6-phosphofructokinase 0.0123 0.1253 0.4744
Schistosoma mansoni hypothetical protein 0.0033 0.0142 0.0376
Schistosoma mansoni myelin transcription factor 1 myt1 0.0062 0.0493 0.1304
Echinococcus granulosus Protein kinase C brain isozyme 0.0191 0.2086 0.561
Schistosoma mansoni sex comb on midleg homolog 0.0054 0.0401 0.106
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0403 0.1065
Entamoeba histolytica hypothetical protein 0.0041 0.0237 0.1203
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0237 0.0639
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0403 0.1084
Trichomonas vaginalis AGC family protein kinase 0.003 0.0099 0.0027
Brugia malayi hypothetical protein 0.0022 0.001 0.0039
Echinococcus granulosus protein kinase c epsilon type 0.0055 0.0409 0.11
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0065 0.0536 0.1417
Brugia malayi p70 ribosomal S6 kinase beta 0.003 0.0099 0.0374
Echinococcus granulosus SAM and MBT domain containing protein 0.0054 0.0401 0.1079
Schistosoma mansoni hypothetical protein 0.0329 0.3783 1
Brugia malayi Matrixin family protein 0.0089 0.083 0.3145
Loa Loa (eye worm) hypothetical protein 0.0022 0.001 0.0039
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0033 0.0145 0.5
Brugia malayi mbt repeat family protein 0.0054 0.0401 0.1519
Loa Loa (eye worm) hypothetical protein 0.003 0.0099 0.0374
Brugia malayi Bromodomain containing protein 0.0033 0.0142 0.0538
Loa Loa (eye worm) 6-phosphofructokinase 0.0123 0.1253 0.4744
Loa Loa (eye worm) hypothetical protein 0.0054 0.0401 0.1519
Loa Loa (eye worm) hypothetical protein 0.0136 0.1412 0.5346
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0061 0.0482 0.1826
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0152 0.0402
Echinococcus granulosus RUN 0.0022 0.001 0.0028
Onchocerca volvulus 0.0089 0.083 0.2705
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.003 0.0099 0.0374
Schistosoma mansoni lipoxygenase 0.0022 0.001 0.0028
Brugia malayi Matrixin family protein 0.0215 0.2383 0.9025
Echinococcus granulosus peregrin 0.0033 0.0142 0.0382
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0123 0.1253 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.003 0.0099 0.0374
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0033 0.0145 1
Echinococcus multilocularis serine:threonine protein kinase 38 0.003 0.0099 0.0099
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0142 0.8172
Echinococcus granulosus 6 phosphofructokinase 0.0123 0.1253 0.337
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0063 0.0506 0.0506
Loa Loa (eye worm) phosphofructokinase 0.0123 0.1253 0.4744
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0033 0.0145 0.8727
Schistosoma mansoni protein kinase C 0.0025 0.0046 0.012
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0108 0.1069 0.4049
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0403 0.1526
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0403 0.1084
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0324 0.3717 0.3717
Brugia malayi Hr1 repeat family protein 0.003 0.0099 0.0374
Brugia malayi Pre-SET motif family protein 0.0236 0.2641 1
Brugia malayi jmjC domain containing protein 0.0108 0.1068 0.4045
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.003 0.0099 0.0374
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.1253 0.3937
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0033 0.0145 0.0184
Entamoeba histolytica hypothetical protein 0.0041 0.0237 0.1203
Trichomonas vaginalis AGC family protein kinase 0.003 0.0099 0.0027
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0123 0.1253 1
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.0142 0.0538
Echinococcus multilocularis peregrin 0.0033 0.0142 0.0142
Schistosoma mansoni hypothetical protein 0.0126 0.1288 0.3405
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0403 0.1065
Echinococcus granulosus NDR protein kinase 0.003 0.0099 0.0265
Schistosoma mansoni unc-13 (munc13) 0.0025 0.0046 0.012
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0145 0.0184
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0409 0.1081
Brugia malayi protein kinase C II. 0.0055 0.0409 0.1549
Toxoplasma gondii phosphofructokinase PFKII 0.0033 0.0145 0.8727
Onchocerca volvulus Matrix metalloproteinase homolog 0.0198 0.2164 0.7105
Echinococcus granulosus Polycystic kidney disease protein 0.0022 0.001 0.0028
Echinococcus multilocularis lysine specific demethylase 5A 0.004 0.0228 0.0228
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.0142 0.0142
Schistosoma mansoni rab6-interacting 0.0022 0.001 0.0028
Plasmodium vivax 6-phosphofructokinase, putative 0.0033 0.0145 0.9521
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0142 0.9312
Leishmania major ATP-dependent phosphofructokinase 0.0123 0.1253 1
Schistosoma mansoni 6-phosphofructokinase 0.0123 0.1253 0.3311
Schistosoma mansoni hypothetical protein 0.0022 0.001 0.0028
Loa Loa (eye worm) AGC/PKN protein kinase 0.003 0.0099 0.0374
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.1253 0.3937
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0062 0.0493 0.0493
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0062 0.0493 0.1327
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0108 0.1068 0.2874
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0054 0.0401 0.1289
Brugia malayi Matrixin family protein 0.0089 0.083 0.3145
Loa Loa (eye worm) matrixin family protein 0.0215 0.2383 0.9025
Loa Loa (eye worm) hypothetical protein 0.0157 0.1669 0.6319
Echinococcus granulosus jumonji domain containing protein 0.0046 0.0302 0.0811
Echinococcus multilocularis Polycystic kidney disease protein 0.0022 0.001 0.001
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0033 0.0145 1
Onchocerca volvulus 0.0034 0.0152 0.0467
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0152 0.0402
Brugia malayi mbt repeat family protein 0.0054 0.0401 0.1519
Schistosoma mansoni 6-phosphofructokinase 0.0123 0.1253 0.3311
Plasmodium vivax SET domain protein, putative 0.0034 0.0152 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.0142 0.0376
Brugia malayi jmjC domain containing protein 0.004 0.0228 0.0863
Schistosoma mansoni jumonji domain containing protein 0.0086 0.0794 0.2099
Trichomonas vaginalis set domain proteins, putative 0.0269 0.3042 1
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0145 0.0184
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0152 1
Onchocerca volvulus Alhambra homolog 0.0033 0.0142 0.0435
Echinococcus granulosus serine:threonine protein kinase N2 0.003 0.0099 0.0265
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0145 0.0184
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0324 0.3717 1
Plasmodium falciparum phd finger protein, putative 0.0033 0.0142 0.978
Brugia malayi DnaJ domain containing protein 0.007 0.059 0.2236
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.1253 0.3937
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0152 0.0402
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.003 0.0099 0.0265
Loa Loa (eye worm) hypothetical protein 0.0062 0.0493 0.1868
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0213 0.2359 0.2359
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0145 0.0184
Brugia malayi Protein kinase domain containing protein 0.003 0.0099 0.0374
Plasmodium vivax 6-phosphofructokinase, putative 0.0033 0.0145 0.9521
Echinococcus granulosus unc 13 munc13 0.0025 0.0046 0.0123
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0033 0.0145 0.0403
Schistosoma mansoni serine/threonine protein kinase 0.0191 0.2086 0.5512
Brugia malayi PHD-finger family protein 0.0033 0.0142 0.0538
Echinococcus granulosus protein kinase C gamma type 0.017 0.1829 0.4919
Trichomonas vaginalis AGC family protein kinase 0.003 0.0099 0.0027
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0228 0.0602
Toxoplasma gondii 6-phosphofructokinase 0.0033 0.0145 0.8727
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0152 0.0152
Schistosoma mansoni atypical protein kinase C 0.005 0.0356 0.094
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0025 0.0046 0.0046
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0145 0.0184
Schistosoma mansoni serine/threonine protein kinase 0.003 0.0099 0.0261
Trichomonas vaginalis protein kinase inhibitor, putative 0.007 0.059 0.1693
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0108 0.1068 0.1068
Mycobacterium ulcerans 6-phosphofructokinase 0.0123 0.1253 1
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.003 0.0099 0.0099
Echinococcus multilocularis histone acetyltransferase MYST2 0.0062 0.0493 0.0493
Echinococcus granulosus RNA directed DNA polymerase 0.0136 0.1412 0.3798
Echinococcus granulosus histone acetyltransferase MYST2 0.0062 0.0493 0.1327
Trichomonas vaginalis AGC family protein kinase 0.003 0.0099 0.0027
Echinococcus multilocularis conserved hypothetical protein 0.0271 0.307 0.307
Schistosoma mansoni serine/threonine kinase 0.003 0.0099 0.0261
Loa Loa (eye worm) DnaJ domain-containing protein 0.007 0.059 0.2236
Echinococcus multilocularis serine:threonine protein kinase N2 0.003 0.0099 0.0099
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0055 0.0409 0.1549
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0137 0.0367
Brugia malayi Protein kinase domain containing protein 0.003 0.0099 0.0374
Echinococcus multilocularis lipoxygenase domain containing protein 0.0022 0.001 0.001
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0576 0.218
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0536 0.203
Echinococcus granulosus protein kinase c iota type 0.005 0.0356 0.0957
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0228 0.0602
Schistosoma mansoni serine/threonine protein kinase 0.0191 0.2086 0.5512
Loa Loa (eye worm) doublecortin family protein 0.0022 0.001 0.0039
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.003 0.0099 0.0099
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0033 0.0145 1
Echinococcus multilocularis polycomb protein SCMH1 0.0054 0.0401 0.0401
Onchocerca volvulus 0.0126 0.1288 0.4214
Loa Loa (eye worm) hypothetical protein 0.0034 0.0152 0.0575
Loa Loa (eye worm) AGC/NDR protein kinase 0.003 0.0099 0.0374
Echinococcus multilocularis RNA directed DNA polymerase 0.0136 0.1412 0.1412
Schistosoma mansoni sex comb on midleg homolog 0.0054 0.0401 0.106
Loa Loa (eye worm) hypothetical protein 0.0033 0.0142 0.0538
Mycobacterium ulcerans hydrolase 0.0108 0.1069 0.7439
Schistosoma mansoni polycystin 1-related 0.0022 0.001 0.0028
Loa Loa (eye worm) mbt repeat family protein 0.0054 0.0401 0.1519
Echinococcus granulosus lipoxygenase domain containing protein 0.0022 0.001 0.0028
Brugia malayi hypothetical protein 0.0022 0.001 0.0039
Schistosoma mansoni serine/threonine protein kinase 0.003 0.0099 0.0261
Schistosoma mansoni hypothetical protein 0.0118 0.118 0.312
Onchocerca volvulus 0.0025 0.0046 0.0116
Brugia malayi Protein kinase domain containing protein 0.003 0.0099 0.0374
Entamoeba histolytica hypothetical protein 0.0041 0.0237 0.1203
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.003 0.0099 0.0265
Schistosoma mansoni glucose-6-phosphatase 0.0273 0.3091 0.817
Loa Loa (eye worm) matrixin family protein 0.0198 0.2164 0.8196
Schistosoma mansoni serine/threonine protein kinase 0.003 0.0099 0.0261
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0123 0.1253 1
Entamoeba histolytica phosphofructokinase, putative 0.0123 0.1253 1
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0094 0.0891 0.2356
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0123 0.1253 0.5
Schistosoma mansoni serine/threonine protein kinase 0.003 0.0099 0.0261
Trypanosoma brucei RNA helicase, putative 0.0118 0.118 0.9373
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.003 0.0099 0.0374
Schistosoma mansoni lipoxygenase 0.0063 0.0506 0.1337
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0108 0.1069 0.7439
Trichomonas vaginalis phosphofructokinase, putative 0.0033 0.0145 0.0184
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0141 0.1473 0.5578
Trichomonas vaginalis AGC family protein kinase 0.003 0.0099 0.0027
Schistosoma mansoni loxhd1 0.0022 0.001 0.0028
Onchocerca volvulus Matrilysin homolog 0.0198 0.2164 0.7105
Echinococcus multilocularis conserved hypothetical protein 0.0271 0.307 0.307
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0403 0.1065
Entamoeba histolytica phosphofructokinase, putative 0.0123 0.1253 1
Echinococcus granulosus dnaJ subfamily C 6 0.007 0.059 0.1588
Loa Loa (eye worm) hypothetical protein 0.0022 0.001 0.0039
Loa Loa (eye worm) hypothetical protein 0.0089 0.083 0.3145
Trichomonas vaginalis AGC family protein kinase 0.003 0.0099 0.0027
Brugia malayi hypothetical protein 0.0041 0.0237 0.0899
Brugia malayi Hemopexin family protein 0.0126 0.1288 0.4878
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0403 0.0403
Trichomonas vaginalis phosphofructokinase, putative 0.0123 0.1253 0.3937
Echinococcus granulosus lipoxygenase domain containing protein 0.0022 0.001 0.0028
Schistosoma mansoni hypothetical protein 0.007 0.059 0.156
Entamoeba histolytica phosphofructokinase, putative 0.0123 0.1253 1
Loa Loa (eye worm) matrix metalloproteinase 0.0089 0.083 0.3145
Entamoeba histolytica hypothetical protein 0.0041 0.0237 0.1203
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0025 0.0046 0.0123
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0062 0.0493 0.1868
Echinococcus multilocularis dnaJ subfamily C 6 0.007 0.059 0.059
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0033 0.0145 0.5
Loa Loa (eye worm) MBCTL1 0.0062 0.0493 0.1868
Brugia malayi Doublecortin family protein 0.0022 0.001 0.0039
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0089 0.083 0.2195
Brugia malayi Protein kinase c protein 2 0.0162 0.173 0.6551
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0152 0.0152
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0054 0.0401 0.106
Echinococcus multilocularis serine threonine protein kinase 0.017 0.1829 0.1829
Echinococcus multilocularis protein kinase c iota type 0.005 0.0356 0.0356
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0191 0.2086 0.2086
Trichomonas vaginalis AGC family protein kinase 0.003 0.0099 0.0027
Loa Loa (eye worm) hypothetical protein 0.0025 0.0046 0.0172
Echinococcus granulosus polycomb protein SCMH1 0.0054 0.0401 0.1079
Echinococcus multilocularis unc 13 (munc13) 0.0025 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0089 0.083 0.3145
Echinococcus multilocularis RUN 0.0022 0.001 0.001
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.0228 0.0863
Onchocerca volvulus 0.0269 0.3042 1
Schistosoma mansoni hypothetical protein 0.0041 0.0237 0.0628
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.0302 0.0302
Brugia malayi phosphofructokinase 0.0123 0.1253 0.4744
Echinococcus multilocularis lipoxygenase domain containing protein 0.0022 0.001 0.001
Onchocerca volvulus Matrilysin homolog 0.0089 0.083 0.2705
Brugia malayi Pre-SET motif family protein 0.0034 0.0152 0.0575
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0236 0.2641 1
Trichomonas vaginalis AGC family protein kinase 0.003 0.0099 0.0027
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0152 0.0409
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0237 0.0237
Trichomonas vaginalis AGC family protein kinase 0.003 0.0099 0.0027
Schistosoma mansoni unc-13 (munc13) 0.0025 0.0046 0.012
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0403 0.1526
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0065 0.0536 0.1442
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.003 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0089 0.083 0.3145
Onchocerca volvulus 0.0054 0.0401 0.1289
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.003 0.0099 0.0265
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0123 0.1253 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0403 0.0403
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0136 0.1412 0.1412
Echinococcus multilocularis serine:threonine protein kinase N2 0.003 0.0099 0.0099
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0237 0.0628
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.0142 0.0382
Loa Loa (eye worm) hypothetical protein 0.0108 0.1069 0.4049
Loa Loa (eye worm) hypothetical protein 0.0057 0.0433 0.164
Echinococcus multilocularis protein kinase c epsilon type 0.0055 0.0409 0.0409
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0065 0.0536 0.0536
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0063 0.0506 0.1361

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 28 nM Inhibition of human HCT-15 (human colon adenocarcinoma, MDR positive) cell growth ChEMBL. 11931625
IC50 (functional) = 28 nM Inhibition of human HCT-15 (human colon adenocarcinoma, MDR positive) cell growth ChEMBL. 11931625
IC50 (functional) = 33 nM Inhibition of human NCI-H460 (human lung large cell carcinoma, MDR negative) cell growth ChEMBL. 11931625
IC50 (functional) = 33 nM Inhibition of human NCI-H460 (human lung large cell carcinoma, MDR negative) cell growth ChEMBL. 11931625
ND (functional) 0 Concentration needed to inhibit the tubulin polymerization by 50%; ND is Not Determined ChEMBL. 11931625
ND (ADMET) 0 Maximum concentration of compound present in plasma measured; ND is No Data ChEMBL. 11931625
ND (ADMET) 0 The oral Area under the plasma concentration curve(AUC) measured;when administered perorally; ND is Not Determined ChEMBL. 11931625
ND (ADMET) 0 Bioavailability of compound was measured; ND is No Data ChEMBL. 11931625

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 11931625

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

1 literature reference was collected for this gene.

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