Detailed information for compound 1398161

Basic information

Technical information
  • TDR Targets ID: 1398161
  • Name: 3,4-dihydro-2H-quinolin-1-yl-[5-thiophen-2-yl -7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin- 2-yl]methanone
  • MW: 428.43 | Formula: C21H15F3N4OS
  • H donors: 0 H acceptors: 3 LogP: 4.37 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCCc2c1cccc2)c1cc2n(n1)c(cc(n2)c1cccs1)C(F)(F)F
  • InChi: 1S/C21H15F3N4OS/c22-21(23,24)18-11-14(17-8-4-10-30-17)25-19-12-15(26-28(18)19)20(29)27-9-3-6-13-5-1-2-7-16(13)27/h1-2,4-5,7-8,10-12H,3,6,9H2
  • InChiKey: MPOFHNPLTNLFTC-UHFFFAOYSA-N  

Network

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Synonyms

  • 3,4-dihydro-2H-quinolin-1-yl-[5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
  • 3,4-dihydro-2H-quinolin-1-yl-[5-(2-thienyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone
  • ZINC00827011
  • BAS 00435076
  • AG-219/36832005
  • (3,4-Dihydro-2H-quinolin-1-yl)-(5-thiophen-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-2-yl)-methanone
  • MLS000562242
  • SMR000175005

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
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
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0013 0.0007 0.0009
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0024 0.0059 0.0109
Plasmodium falciparum flap endonuclease 1 0.0024 0.0059 0.0041
Trypanosoma cruzi PAB1-binding protein , putative 0.0023 0.0055 0.01
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0036 0.0072
Loa Loa (eye worm) leukotriene A4 hydrolase 0.141 0.6773 1
Onchocerca volvulus 0.0022 0.005 0.0093
Brugia malayi hypothetical protein 0.0023 0.0055 0.011
Schistosoma mansoni hypothetical protein 0.0022 0.0053 0.0067
Loa Loa (eye worm) hypothetical protein 0.0047 0.017 0.025
Schistosoma mansoni aminopeptidase A (M01 family) 0.0277 0.1287 0.1891
Mycobacterium tuberculosis Probable reductase 0.0186 0.0844 0.2416
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0028 0.0081 0.0169
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0028 0.0081 0.0169
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0099 0.0423 0.1133
Loa Loa (eye worm) PAN domain-containing protein 0.0013 0.0007 0.0009
Trypanosoma cruzi pyroglutamyl-peptidase I, putative 0.0782 0.3731 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0443 0.2088 0.5575
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0169 0.0764 0.1127
Brugia malayi Flap endonuclease-1 0.0024 0.0059 0.0117
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0013 0.0008 0.0001
Loa Loa (eye worm) hypothetical protein 0.0701 0.3338 0.4928
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0015 0.0018 0.0025
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0028 0.0081 0.0109
Brugia malayi TATA binding protein associated factor 0.0277 0.1287 0.2607
Entamoeba histolytica hypothetical protein 0.0043 0.0154 0.0659
Leishmania major trypanothione reductase 0.0081 0.0339 0.0864
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0036 0.0052
Loa Loa (eye worm) hypothetical protein 0.0014 0.0011 0.0015
Echinococcus multilocularis inhibitor of apoptosis protein 0.011 0.0475 0.0691
Brugia malayi Peptidase family M1 containing protein 0.0277 0.1287 0.2607
Loa Loa (eye worm) hypothetical protein 0.0022 0.0048 0.007
Echinococcus granulosus intermediate filament protein 0.0022 0.005 0.0063
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0165 0.0745 0.1958
Chlamydia trachomatis cytosol aminopeptidase 0.0721 0.3438 1
Echinococcus granulosus baculoviral IAP repeat containing protein 0.011 0.0475 0.0691
Toxoplasma gondii phosphofructokinase PFKII 0.0027 0.0073 0.0073
Toxoplasma gondii PAN domain-containing protein 0.0013 0.0007 0.0007
Echinococcus granulosus lamin dm0 0.0022 0.005 0.0063
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0277 0.1287 0.613
Echinococcus multilocularis caspase 2 0.0083 0.0348 0.0504
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0058 0.0223 0.0319
Brugia malayi Protein kinase domain containing protein 0.0047 0.017 0.0344
Brugia malayi PAN domain containing protein 0.0013 0.0007 0.0012
Onchocerca volvulus 0.0978 0.4681 1
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0024 0.0059 0.0059
Brugia malayi glutathione reductase 0.0081 0.0339 0.0685
Brugia malayi Death domain containing protein 0.0013 0.0007 0.0013
Leishmania major pyroglutamyl-peptidase I (C15 family) 0.0782 0.3731 1
Echinococcus granulosus flap endonuclease 1 0.0024 0.0059 0.0076
Brugia malayi 6-phosphofructokinase 0.0099 0.0423 0.0855
Echinococcus granulosus histone lysine methyltransferase setb 0.0024 0.0061 0.008
Plasmodium vivax flap endonuclease 1, putative 0.0024 0.0059 0.0058
Loa Loa (eye worm) hypothetical protein 0.0016 0.0021 0.0029
Echinococcus granulosus neuropeptide s receptor 0.0563 0.267 0.3936
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0154 0.0217
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0019 0.0037 0.0074
Echinococcus multilocularis leukotriene A 4 hydrolase 0.141 0.6773 1
Echinococcus multilocularis Ankyrin 0.0013 0.0008 0.0001
Echinococcus multilocularis leucine aminopeptidase protein 0.0721 0.3438 0.507
Brugia malayi Thioredoxin reductase 0.0081 0.0339 0.0685
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0143 0.0289
Echinococcus multilocularis tissue type plasminogen activator 0.0047 0.017 0.0241
Plasmodium falciparum ataxin-2 like protein, putative 0.0023 0.0055 0.0037
Loa Loa (eye worm) matrix metalloproteinase 0.0016 0.0021 0.0029
Brugia malayi Cell death protein 3 precursor 0.0083 0.0348 0.0704
Toxoplasma gondii hypothetical protein 0.0013 0.0007 0.0007
Onchocerca volvulus 0.0443 0.2088 0.4453
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0024 0.0061 0.0061
Brugia malayi Intermediate filament tail domain containing protein 0.0022 0.005 0.01
Leishmania major hypothetical protein, conserved 0.0047 0.017 0.041
Loa Loa (eye worm) matrixin family protein 0.0035 0.0114 0.0168
Mycobacterium tuberculosis Probable dehydrogenase 0.0186 0.0844 0.2416
Brugia malayi PAN domain containing protein 0.0013 0.0007 0.0012
Onchocerca volvulus 0.0193 0.0878 0.1864
Trichomonas vaginalis DNA helicase recq, putative 0.0017 0.0028 0.0048
Echinococcus multilocularis neuropeptide receptor A26 0.0563 0.267 0.3936
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0028 0.0081 0.0063
Loa Loa (eye worm) hypothetical protein 0.006 0.0235 0.0347
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0116 0.0508 0.1319
Onchocerca volvulus Deterin homolog 0.011 0.0475 0.1002
Toxoplasma gondii microneme protein MIC17C 0.0013 0.0007 0.0007
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0116 0.0508 0.1027
Onchocerca volvulus 0.0022 0.005 0.0093
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0027 0.0073 0.0267
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0028 0.0081 0.0169
Trypanosoma cruzi trypanothione reductase, putative 0.0081 0.0339 0.0864
Schistosoma mansoni inhibitor of apoptosis protein 0.011 0.0475 0.0691
Brugia malayi PAN domain containing protein 0.0013 0.0007 0.0012
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0028 0.0081 0.0183
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0721 0.3438 1
Toxoplasma gondii PAN domain-containing protein 0.0013 0.0007 0.0007
Toxoplasma gondii 6-phosphofructokinase 0.0027 0.0073 0.0073
Onchocerca volvulus 0.0277 0.1287 0.2739
Onchocerca volvulus Matrix metalloproteinase homolog 0.0035 0.0114 0.023
Brugia malayi hypothetical protein 0.0277 0.1287 0.2607
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0028 0.0081 0.0169
Trichomonas vaginalis phosphofructokinase, putative 0.0027 0.0073 0.0267
Loa Loa (eye worm) hypothetical protein 0.0083 0.0348 0.0513
Trichomonas vaginalis phosphofructokinase, putative 0.0027 0.0073 0.0267
Echinococcus multilocularis leucyl aminopeptidase 0.0116 0.0508 0.074
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.4688 0.6918
Loa Loa (eye worm) hypothetical protein 0.0277 0.1287 0.1899
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0028 0.0081 0.0169
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0116 0.0508 0.1319
Brugia malayi phosphofructokinase 0.0099 0.0423 0.0855
Plasmodium falciparum glutathione reductase 0.0028 0.0081 0.0063
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0027 0.0073 0.0056
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0028 0.0081 0.0169
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0443 0.2088 0.3075
Toxoplasma gondii PAN domain-containing protein 0.0013 0.0007 0.0007
Toxoplasma gondii subtilisin SUB12 0.0013 0.0007 0.0007
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0028 0.0081 0.0169
Echinococcus granulosus leucine aminopeptidase protein 0.0721 0.3438 0.507
Trypanosoma cruzi aminopeptidase, putative 0.0443 0.2088 0.5575
Trypanosoma cruzi Aminopeptidase M1, putative 0.0443 0.2088 0.5575
Brugia malayi hypothetical protein 0.0083 0.0348 0.0704
Brugia malayi Matrixin family protein 0.0016 0.0021 0.004
Echinococcus granulosus bloom syndrome protein 0.0017 0.0028 0.0031
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0019 0.0037 0.0057
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0027 0.0073 0.0056
Brugia malayi POT family protein 0.0037 0.0124 0.0249
Schistosoma mansoni blooms syndrome DNA helicase 0.0014 0.001 0.0004
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0277 0.1287 0.1891
Brugia malayi Aminopeptidase ZK353.6 in chromosome III 0.0116 0.0508 0.1027
Plasmodium falciparum cysteine repeat modular protein 1 0.0047 0.017 0.0153
Loa Loa (eye worm) POT family protein 0.0037 0.0124 0.0181
Plasmodium falciparum M17 leucyl aminopeptidase 0.0584 0.2773 0.276
Onchocerca volvulus 0.0083 0.0348 0.0731
Mycobacterium ulcerans leucyl aminopeptidase 0.0721 0.3438 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0081 0.0339 0.049
Echinococcus granulosus ankyrin repeat domain containing protein 17 0.0116 0.0508 0.074
Loa Loa (eye worm) PAN domain-containing protein 0.0013 0.0007 0.0009
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0207 0.0945 0.2668
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0024 0.0059 0.0109
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0443 0.2088 1
Schistosoma mansoni hypothetical protein 0.0042 0.0148 0.0208
Schistosoma mansoni hypothetical protein 0.0083 0.0348 0.0504
Mycobacterium ulcerans 6-phosphofructokinase 0.0099 0.0423 0.1184
Echinococcus granulosus neuropeptide receptor A26 0.0563 0.267 0.3936
Plasmodium falciparum thioredoxin reductase 0.0081 0.0339 0.0321
Schistosoma mansoni hypothetical protein 0.0047 0.017 0.0241
Loa Loa (eye worm) aminopeptidase N 0.0443 0.2088 0.3082
Echinococcus multilocularis apoptotic protease activating factor 1 0.0083 0.0348 0.0504
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0009
Loa Loa (eye worm) hypothetical protein 0.0016 0.0021 0.0029
Onchocerca volvulus 0.0047 0.017 0.035
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0027 0.0073 0.8824
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0028 0.0081 0.0169
Toxoplasma gondii NADPH-glutathione reductase 0.0028 0.0081 0.0081
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0721 0.3438 1
Toxoplasma gondii thioredoxin reductase 0.0081 0.0339 0.0339
Trichomonas vaginalis phosphofructokinase, putative 0.0099 0.0423 0.1956
Brugia malayi hypothetical protein 0.0443 0.2088 0.423
Loa Loa (eye worm) hypothetical protein 0.0535 0.2537 0.3745
Brugia malayi Pre-SET motif family protein 0.0024 0.0061 0.0123
Echinococcus granulosus apoptotic protease activating factor 1 0.0083 0.0348 0.0504
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0028 0.0081 0.0183
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0235 0.0476
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0721 0.3438 0.3437
Schistosoma mansoni ap endonuclease 0.0015 0.0018 0.0016
Loa Loa (eye worm) 6-phosphofructokinase 0.0099 0.0423 0.0623
Echinococcus granulosus nuclear factor of activated T cells 5 0.0067 0.0268 0.0386
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0277 0.1287 0.1891
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0028 0.0081 0.0169
Echinococcus multilocularis musashi 0.0022 0.005 0.0063
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0584 0.2773 0.742
Trypanosoma brucei pyroglutamyl-peptidase I, putative 0.0782 0.3731 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0027 0.0073 0.0073
Brugia malayi hypothetical protein 0.103 0.4934 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0037 0.0054
Loa Loa (eye worm) hypothetical protein 0.0277 0.1287 0.1899
Echinococcus granulosus leucyl aminopeptidase 0.0116 0.0508 0.074
Plasmodium vivax SET domain protein, putative 0.0024 0.0061 0.0061
Giardia lamblia Flap structure-specific endonuclease 0.0024 0.0059 0.6486
Loa Loa (eye worm) hypothetical protein 0.0277 0.1287 0.1899
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0058 0.0223 0.0319
Loa Loa (eye worm) hypothetical protein 0.011 0.0475 0.07
Trypanosoma cruzi hypothetical protein, conserved 0.0047 0.017 0.041
Brugia malayi Bloom's syndrome protein homolog 0.0017 0.0028 0.0055
Echinococcus multilocularis thioredoxin glutathione reductase 0.0081 0.0339 0.049
Entamoeba histolytica hypothetical protein 0.0043 0.0154 0.0659
Toxoplasma gondii hypothetical protein 0.0013 0.0007 0.0007
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0186 0.0844 0.2416
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0277 0.1287 0.3418
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0116 0.0508 0.1319
Loa Loa (eye worm) glutathione reductase 0.0081 0.0339 0.0499
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0028 0.0081 0.0183
Loa Loa (eye worm) hypothetical protein 0.0022 0.005 0.0073
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0165 0.0745 0.109
Schistosoma mansoni hypothetical protein 0.0043 0.0154 0.0217
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0067 0.0268 0.0386
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0277 0.1287 0.1286
Loa Loa (eye worm) hypothetical protein 0.0023 0.0055 0.008
Mycobacterium tuberculosis Probable oxidoreductase 0.0207 0.0945 0.271
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0015 0.0018 0.0017
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0036 0.0043
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0277 0.1287 0.1271
Schistosoma mansoni flap endonuclease-1 0.0021 0.0048 0.006
Loa Loa (eye worm) hypothetical protein 0.0019 0.0036 0.0052
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0099 0.0423 1
Plasmodium vivax ataxin-2 like protein, putative 0.0023 0.0055 0.0054
Brugia malayi 6-phosphofructokinase 0.0099 0.0423 0.0855
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0028 0.0081 0.0169
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0028 0.0081 0.0169
Schistosoma mansoni 6-phosphofructokinase 0.0099 0.0423 0.0614
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0061 0.008
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0036 0.0043
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0061 0.008
Entamoeba histolytica hypothetical protein 0.0043 0.0154 0.0659
Loa Loa (eye worm) hypothetical protein 0.0041 0.0143 0.021
Trichomonas vaginalis glutathione reductase, putative 0.0028 0.0081 0.0303
Echinococcus granulosus caspase 2 0.0083 0.0348 0.0504
Echinococcus multilocularis 6 phosphofructokinase 0.0099 0.0423 0.0614
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0028 0.0081 0.0183
Loa Loa (eye worm) thioredoxin reductase 0.0081 0.0339 0.0499
Trichomonas vaginalis phosphofructokinase, putative 0.0027 0.0073 0.0267
Echinococcus granulosus inhibitor of apoptosis protein 0.011 0.0475 0.0691
Loa Loa (eye worm) hypothetical protein 0.0289 0.1342 0.198
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0165 0.0745 0.109
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.141 0.6773 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0009
Brugia malayi Pre-SET motif family protein 0.0169 0.0764 0.1547
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0028 0.0081 0.0169
Loa Loa (eye worm) phosphofructokinase 0.0099 0.0423 0.0623
Mycobacterium ulcerans aminopeptidase N PepN 0.0443 0.2088 0.6053
Schistosoma mansoni lamin 0.0022 0.005 0.0063
Entamoeba histolytica aminopeptidase, putative 0.0443 0.2088 1
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0027 0.0073 0.0073
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0443 0.2088 0.5575
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0021 0.0044 0.0088
Brugia malayi Hemopexin family protein 0.0022 0.0053 0.0105
Echinococcus multilocularis lamin dm0 0.0022 0.005 0.0063
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0028 0.0081 0.0169
Trichomonas vaginalis phosphofructokinase, putative 0.0027 0.0073 0.0267
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0009
Toxoplasma gondii PAN domain-containing protein 0.0013 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0009
Trypanosoma brucei PAB1-binding protein , putative 0.0023 0.0055 0.01
Brugia malayi PAN domain containing protein 0.0013 0.0007 0.0012
Onchocerca volvulus Netrin receptor homolog 0.0013 0.0007 0.0001
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0028 0.0081 0.0063
Toxoplasma gondii PAN domain-containing protein 0.0013 0.0007 0.0007
Mycobacterium ulcerans hydrolase 0.0019 0.0037 0.0057
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0023 0.0057 0.0074
Trypanosoma brucei Aminopeptidase M1, putative 0.0443 0.2088 0.5575
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0116 0.0508 0.1319
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0235 0.0476
Trichomonas vaginalis phosphofructokinase, putative 0.0099 0.0423 0.1956
Brugia malayi hypothetical protein 0.0111 0.048 0.0972
Brugia malayi PAN domain containing protein 0.0013 0.0007 0.0012
Echinococcus granulosus Ankyrin 0.0013 0.0008 0.0001
Giardia lamblia NADH oxidase lateral transfer candidate 0.0028 0.0081 1
Brugia malayi PAN domain containing protein 0.0013 0.0007 0.0012
Echinococcus granulosus tissue type plasminogen activator 0.0047 0.017 0.0241
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0116 0.0508 0.1319
Brugia malayi Peptidase family M1 containing protein 0.0978 0.4681 0.9486
Brugia malayi Matrixin family protein 0.0038 0.013 0.0261
Toxoplasma gondii PAN domain-containing protein 0.0013 0.0007 0.0007
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0028 0.0081 0.0183
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0009
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0277 0.1287 0.3418
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0028 0.0081 0.0169
Echinococcus multilocularis flap endonuclease 1 0.0024 0.0059 0.0076
Onchocerca volvulus Matrilysin homolog 0.0035 0.0114 0.023
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0038 0.0126 0.0176
Loa Loa (eye worm) hypothetical protein 0.0165 0.0745 0.1099
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0116 0.0508 0.1319
Trichomonas vaginalis phosphofructokinase, putative 0.0099 0.0423 0.1956
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0015 0.0018 0.0016
Loa Loa (eye worm) hypothetical protein 0.011 0.0475 0.07
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0186 0.0844 0.2373
Schistosoma mansoni lamin 0.0022 0.005 0.0063
Entamoeba histolytica Flap nuclease, putative 0.0024 0.0059 0.0196
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0009
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0277 0.1287 0.3418
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0027 0.0073 0.0267
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0443 0.2088 0.5575
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0028 0.0081 0.0081
Brugia malayi exodeoxyribonuclease III family protein 0.0015 0.0018 0.0035
Trypanosoma brucei trypanothione reductase 0.0081 0.0339 0.0864
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0277 0.1287 0.1891
Brugia malayi PAN domain containing protein 0.0013 0.0007 0.0012
Schistosoma mansoni hypothetical protein 0.011 0.0475 0.0691
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0443 0.2088 0.3075
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0028 0.0081 0.008
Trypanosoma cruzi PAB1-binding protein , putative 0.0023 0.0055 0.01
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0277 0.1287 0.3418
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0047 0.017 0.017
Echinococcus multilocularis expressed conserved protein 0.0038 0.0129 0.018
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0022 0.005 0.0073
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0009
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0081 0.0339 0.0937
Trichomonas vaginalis DNA helicase recq1, putative 0.0017 0.0028 0.0048
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0016 0.0021 0.002
Schistosoma mansoni hypothetical protein 0.0041 0.0143 0.0201
Echinococcus multilocularis bloom syndrome protein 0.0017 0.0028 0.0031
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0028 0.0081 0.0162
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0277 0.1287 0.3418
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0584 0.2773 0.742
Loa Loa (eye worm) PAN domain-containing protein 0.0013 0.0007 0.0009
Echinococcus granulosus leukotriene A 4 hydrolase 0.141 0.6773 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0036 0.0072
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.011 0.0475 0.0961
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.011 0.0475 0.0691
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0443 0.2088 0.3075
Loa Loa (eye worm) hypothetical protein 0.0083 0.0348 0.0513
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0186 0.0844 0.2416
Echinococcus multilocularis GPCR, family 2 0.0019 0.0036 0.0043
Loa Loa (eye worm) intermediate filament protein 0.0022 0.005 0.0073
Brugia malayi PAN domain containing protein 0.0013 0.0007 0.0012
Trichomonas vaginalis mercuric reductase, putative 0.0028 0.0081 0.0303
Brugia malayi Uncoordinated protein 44 0.0013 0.0007 0.0013
Loa Loa (eye worm) TATA binding protein associated factor 0.0277 0.1287 0.1899
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0443 0.2088 0.3075
Toxoplasma gondii microneme protein MIC17B 0.0013 0.0007 0.0007
Plasmodium falciparum thioredoxin reductase 0.0028 0.0081 0.0063
Schistosoma mansoni caspase-7 (C14 family) 0.0083 0.0348 0.0504
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0009
Toxoplasma gondii microneme protein MIC4 0.0013 0.0007 0.0007
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0186 0.0844 0.2416
Leishmania major ATP-dependent phosphofructokinase 0.0099 0.0423 0.1091
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0028 0.0081 0.0169
Onchocerca volvulus Cell death protein 3 homolog 0.0083 0.0348 0.0731
Schistosoma mansoni hypothetical protein 0.0019 0.0036 0.0043
Trichomonas vaginalis set domain proteins, putative 0.0193 0.0877 0.4152
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0207 0.0945 0.271
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0443 0.2088 0.3075
Brugia malayi Immunoglobulin I-set domain containing protein 0.0013 0.0007 0.0013
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0449 0.2119 0.3122
Echinococcus multilocularis lamin 0.0022 0.005 0.0063
Brugia malayi hypothetical protein 0.0043 0.0154 0.0311
Leishmania major hypothetical protein, conserved 0.0023 0.0055 0.01
Loa Loa (eye worm) RecQ helicase 0.0017 0.0028 0.004
Echinococcus granulosus lamin 0.0022 0.005 0.0063
Trypanosoma cruzi trypanothione reductase, putative 0.0028 0.0081 0.0169
Schistosoma mansoni intermediate filament proteins 0.0022 0.005 0.0063
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0186 0.0844 0.2416
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0024 0.0059 0.0109
Echinococcus granulosus aminopeptidase N 0.0978 0.4681 0.6908
Entamoeba histolytica phosphofructokinase, putative 0.0099 0.0423 0.1956
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0036 0.0043
Echinococcus multilocularis leucyl aminopeptidase 0.0116 0.0508 0.074
Plasmodium falciparum glutathione reductase 0.0081 0.0339 0.0321
Loa Loa (eye worm) PAN domain-containing protein 0.0013 0.0007 0.0009
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0235 0.0347
Brugia malayi Matrixin family protein 0.0016 0.0021 0.004
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0024 0.0061 0.008
Loa Loa (eye worm) aminopeptidase in chromosome V 0.0116 0.0508 0.0748
Loa Loa (eye worm) TK/ROR protein kinase 0.0047 0.017 0.025
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0028 0.0081 0.0183
Loa Loa (eye worm) flap endonuclease-1 0.0024 0.0059 0.0085
Brugia malayi Kringle domain containing protein 0.0047 0.017 0.0344
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0721 0.3438 1
Brugia malayi PAN domain containing protein 0.0013 0.0007 0.0012
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0154 0.0217
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0013 0.0007 0.0007
Toxoplasma gondii microneme protein MIC17A 0.0013 0.0007 0.0007
Trypanosoma brucei aminopeptidase, putative 0.0277 0.1287 0.3418
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0027 0.0073 0.1366
Trichomonas vaginalis phosphofructokinase, putative 0.0099 0.0423 0.1956
Plasmodium vivax glutathione reductase, putative 0.0081 0.0339 0.0338
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0443 0.2088 0.5575
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0028 0.0081 0.0109
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0443 0.2088 0.3075
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0099 0.0423 0.1184
Brugia malayi Peptidase family M1 containing protein 0.0443 0.2088 0.423
Toxoplasma gondii kringle domain-containing protein 0.0047 0.017 0.017
Onchocerca volvulus 0.011 0.0475 0.1002
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0443 0.2088 0.3075
Loa Loa (eye worm) 6-phosphofructokinase 0.0099 0.0423 0.0623
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0443 0.2088 0.3075
Entamoeba histolytica phosphofructokinase, putative 0.0099 0.0423 0.1956
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0443 0.2088 1
Trypanosoma cruzi aminopeptidase, putative 0.0277 0.1287 0.3418
Onchocerca volvulus Matrilysin homolog 0.0016 0.0021 0.003
Loa Loa (eye worm) aminopeptidase in chromosome III 0.0116 0.0508 0.0748
Brugia malayi Matrixin family protein 0.0016 0.0021 0.004
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0116 0.0508 0.1319
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0036 0.0043
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0099 0.0423 0.1091
Loa Loa (eye worm) peptidase family M1 containing protein 0.0812 0.388 0.5728
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0028 0.0081 0.008
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0013 0.0007 0.000000012712
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.011 0.0475 0.0691
Trichomonas vaginalis flap endonuclease-1, putative 0.0024 0.0059 0.0196
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0584 0.2773 0.742
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.0116 0.0508 0.074
Brugia malayi Protein kinase domain containing protein 0.0013 0.0007 0.0013
Trypanosoma brucei Aminopeptidase M1, putative 0.0443 0.2088 0.5575
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0024 0.0061 0.008
Schistosoma mansoni ankyrin 23/unc44 0.0013 0.0007 0.000000012712
Toxoplasma gondii microneme protein, putative 0.0013 0.0007 0.0007
Plasmodium vivax 6-phosphofructokinase, putative 0.0027 0.0073 0.0073
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0154 0.0217
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0024 0.0061 0.008
Echinococcus granulosus expressed conserved protein 0.0038 0.0129 0.018
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0443 0.2088 0.3075
Brugia malayi cytosol aminopeptidase 0.0116 0.0508 0.1027
Toxoplasma gondii PAN/Apple domain-containing protein 0.0013 0.0007 0.0007
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0028 0.0081 0.0169
Schistosoma mansoni hypothetical protein 0.0019 0.0036 0.0043
Trichomonas vaginalis phosphofructokinase, putative 0.0027 0.0073 0.0267
Echinococcus granulosus leucyl aminopeptidase 0.0116 0.0508 0.074
Toxoplasma gondii exonuclease III APE 0.0015 0.0018 0.0018
Treponema pallidum NADH oxidase 0.0028 0.0081 0.1548
Brugia malayi hypothetical protein 0.0015 0.0016 0.003
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0013 0.0007 0.000000012712
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0021 0.0044 0.0088
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0061 0.008
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0443 0.2088 0.3075
Trypanosoma brucei aminopeptidase, putative 0.0116 0.0508 0.1319
Entamoeba histolytica hypothetical protein 0.0043 0.0154 0.0659
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0028 0.0081 0.0022
Plasmodium falciparum ataxin-2 like protein, putative 0.0023 0.0055 0.0037
Entamoeba histolytica phosphofructokinase, putative 0.0099 0.0423 0.1956
Schistosoma mansoni 6-phosphofructokinase 0.0099 0.0423 0.0614
Schistosoma mansoni hypothetical protein 0.0019 0.0036 0.0043
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0277 0.1287 0.3418
Loa Loa (eye worm) hypothetical protein 0.0016 0.0021 0.0029
Loa Loa (eye worm) hypothetical protein 0.0165 0.0745 0.1099
Mycobacterium ulcerans aminopeptidase N PepN 0.0277 0.1287 0.371
Loa Loa (eye worm) PAN domain-containing protein 0.0013 0.0007 0.0009
Schistosoma mansoni ap endonuclease 0.0015 0.0018 0.0016
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0207 0.0945 0.271
Loa Loa (eye worm) hypothetical protein 0.0013 0.0008 0.001
Brugia malayi PAN domain containing protein 0.0013 0.0007 0.0012
Loa Loa (eye worm) matrixin family protein 0.0038 0.013 0.019
Brugia malayi Matrixin family protein 0.0016 0.0021 0.004
Echinococcus granulosus GPCR family 2 0.0019 0.0036 0.0043
Brugia malayi Aminopeptidase W07G4.4 in chromosome V 0.0116 0.0508 0.1027
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0015 0.0018 0.0016
Echinococcus granulosus 6 phosphofructokinase 0.0099 0.0423 0.0614
Schistosoma mansoni hypothetical protein 0.0019 0.0036 0.0043
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0028 0.0081 0.0109
Onchocerca volvulus 0.0024 0.0061 0.0117
Onchocerca volvulus 0.0016 0.0021 0.003
Trichomonas vaginalis phosphofructokinase, putative 0.0027 0.0073 0.0267
Toxoplasma gondii leucyl aminopeptidase LAP 0.0721 0.3438 0.3438
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0584 0.2773 0.742
Onchocerca volvulus 0.0022 0.0053 0.0099
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0443 0.2088 0.3075
Echinococcus multilocularis leucyl aminopeptidase 0.0116 0.0508 0.074
Brugia malayi intermediate filament protein 0.0022 0.005 0.01
Schistosoma mansoni leucine aminopeptidase 0.0116 0.0508 0.074
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0099 0.0423 0.1091
Loa Loa (eye worm) hypothetical protein 0.0024 0.0061 0.009
Plasmodium vivax thioredoxin reductase, putative 0.0081 0.0339 0.0338
Echinococcus multilocularis aminopeptidase N 0.0978 0.4681 0.6908
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.011 0.0475 0.0961
Trypanosoma cruzi Cysteine peptidase, Clan CF, family C15 0.0782 0.3731 1
Echinococcus multilocularis neuropeptide s receptor 0.0563 0.267 0.3936
Toxoplasma gondii LsmAD domain-containing protein 0.0023 0.0055 0.0055

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 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) 14.581 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) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 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) 19.9526 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) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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