Detailed information for compound 1302944

Basic information

Technical information
  • TDR Targets ID: 1302944
  • Name: 2-cyano-N-ethyl-3-[2-[4-(4-methoxyphenyl)pipe razin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimi din-3-yl]prop-2-enamide
  • MW: 472.539 | Formula: C26H28N6O3
  • H donors: 1 H acceptors: 3 LogP: 2.4 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=O)/C(=C/c1c(nc2n(c1=O)cccc2C)N1CCN(CC1)c1ccc(cc1)OC)/C#N
  • InChi: 1S/C26H28N6O3/c1-4-28-25(33)19(17-27)16-22-24(29-23-18(2)6-5-11-32(23)26(22)34)31-14-12-30(13-15-31)20-7-9-21(35-3)10-8-20/h5-11,16H,4,12-15H2,1-3H3,(H,28,33)/b19-16+
  • InChiKey: JGRYKACHFZKKDU-KNTRCKAVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-2-cyano-N-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
  • 2-cyano-N-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
  • (E)-2-cyano-N-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
  • 2-cyano-N-ethyl-3-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]prop-2-enamide
  • (E)-2-cyano-N-ethyl-3-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]prop-2-enamide
  • (E)-2-cyano-N-ethyl-3-[4-keto-2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]acrylamide
  • 2-cyano-N-ethyl-3-[4-keto-2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]acrylamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus geminin 0.0205 0.1269 0.398
Entamoeba histolytica hypothetical protein 0.0043 0.02 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0278 0.0872
Schistosoma mansoni hypothetical protein 0.0205 0.1269 0.1266
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0031 0.0028
Schistosoma mansoni smad 0.0043 0.0196 0.0193
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0145 0.4127
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0248 0.2043
Brugia malayi N-terminal motif family protein 0.0195 0.1203 0.1202
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0002
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0676 0.2122
Echinococcus multilocularis cpg binding protein 0.0037 0.0155 0.0485
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0224 0.0222
Brugia malayi MH2 domain containing protein 0.0629 0.4085 0.4084
Echinococcus multilocularis chromobox protein 1 0.0084 0.047 0.1473
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0055 0.0052
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0035 0.0143 1
Brugia malayi hypothetical protein 0.0166 0.1015 0.1014
Schistosoma mansoni hypothetical protein 0.0035 0.0145 0.0142
Schistosoma mansoni Smad4 0.0043 0.0196 0.0193
Schistosoma mansoni tar DNA-binding protein 0.0397 0.2547 0.2545
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0002
Loa Loa (eye worm) Smad1 0.0043 0.0196 0.0195
Echinococcus granulosus tar DNA binding protein 0.0397 0.2547 0.7991
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0236 0.0236
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0014 0.0003 0.0069
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0133 0.013
Echinococcus multilocularis chromobox protein 1 0.0084 0.047 0.1473
Schistosoma mansoni hypothetical protein 0.0049 0.0236 0.0234
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0145 0.4127
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0035 0.0143 0.0448
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.0614 0.0613
Brugia malayi MH2 domain containing protein 0.0043 0.0196 0.0195
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0035 0.0143 0.014
Echinococcus granulosus Chromo domain 0.0014 0.0003 0.0009
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0676 0.2122
Loa Loa (eye worm) hypothetical protein 0.0025 0.0077 0.0076
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0016 0.0016 0.005
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0016 0.0016 0.0013
Loa Loa (eye worm) MH1 domain-containing protein 0.0019 0.0039 0.0038
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0207 0.0204
Loa Loa (eye worm) hypothetical protein 0.0106 0.0614 0.0613
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0194 0.0609
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0035 0.0143 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0224 0.0222
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0043 0.0196 0.0193
Loa Loa (eye worm) hypothetical protein 0.0037 0.0157 0.0156
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0002
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0002
Schistosoma mansoni hypothetical protein 0.0049 0.0236 0.0234
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0035 0.0143 0.0448
Loa Loa (eye worm) MH2 domain-containing protein 0.0629 0.4085 0.4084
Loa Loa (eye worm) CHromoDomain protein family member 0.0016 0.0016 0.0015
Brugia malayi SET domain containing protein 0.0015 0.0008 0.0007
Brugia malayi mothers against decapentaplegic homolog 3 0.0019 0.0039 0.0038
Echinococcus multilocularis isocitrate dehydrogenase 0.0035 0.0143 0.0448
Schistosoma mansoni tar DNA-binding protein 0.0397 0.2547 0.2545
Echinococcus multilocularis Chromo domain 0.0014 0.0003 0.0009
Loa Loa (eye worm) isocitrate dehydrogenase 0.0035 0.0143 0.0142
Schistosoma mansoni chromobox protein 0.0084 0.047 0.0467
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.02 0.0626
Onchocerca volvulus Alhambra homolog 0.0035 0.0145 0.1184
Brugia malayi CHD4 protein 0.0016 0.0016 0.0015
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.0045 0.0042
Brugia malayi RNA binding protein 0.0397 0.2547 0.2547
Loa Loa (eye worm) hypothetical protein 0.0024 0.0069 0.0068
Loa Loa (eye worm) MH2 domain-containing protein 0.0043 0.0196 0.0195
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0278 0.0275
Echinococcus granulosus TGF beta signal transducer SmadC 0.0043 0.0196 0.0614
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0133 0.013
Echinococcus granulosus chromobox protein 1 0.0084 0.047 0.1473
Schistosoma mansoni cpg binding protein 0.0037 0.0155 0.0152
Schistosoma mansoni chromobox protein 0.0084 0.047 0.0467
Onchocerca volvulus 0.0015 0.0008 0.0042
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0236 0.0742
Schistosoma mansoni smad1 5 8 and 0.0043 0.0196 0.0193
Brugia malayi jmjC domain containing protein 0.0115 0.0676 0.0675
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0278 0.0872
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0236 0.0742
Brugia malayi Bromodomain containing protein 0.0035 0.0145 0.0144
Echinococcus multilocularis smad 0.0043 0.0196 0.0614
Schistosoma mansoni hypothetical protein 0.0205 0.1269 0.1266
Echinococcus granulosus smad 0.0043 0.0196 0.0614
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0224 0.1845
Brugia malayi Heterochromatin protein 1 0.0084 0.047 0.0469
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0014 0.0003 0.0009
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0519 0.0516
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0278 0.0275
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0145 0.0455
Schistosoma mansoni smad 0.0019 0.0039 0.0036
Echinococcus granulosus dnaJ subfamily B 0.0494 0.3188 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0142 0.0141
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0055 0.0052
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0155 0.0938 0.0938
Echinococcus granulosus peregrin 0.0035 0.0145 0.0455
Onchocerca volvulus 0.0037 0.0157 0.1282
Entamoeba histolytica hypothetical protein 0.0043 0.02 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0278 0.0872
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0394 0.0393
Brugia malayi M-phase phosphoprotein, mpp8 0.0014 0.0003 0.0002
Onchocerca volvulus 0.0035 0.0142 0.1155
Loa Loa (eye worm) nuclear factor I 0.0024 0.0069 0.0068
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0236 0.0742
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0155 0.0938 0.0938
Echinococcus multilocularis Smad4 0.0043 0.0196 0.0614
Brugia malayi TAR-binding protein 0.0397 0.2547 0.2547
Loa Loa (eye worm) hypothetical protein 0.0166 0.1015 0.1014
Brugia malayi PHD-finger family protein 0.0035 0.0145 0.0144
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0236 0.0742
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0145 1
Schistosoma mansoni hypothetical protein 0.0049 0.0236 0.0234
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0236 0.0236
Trichomonas vaginalis glutaminase, putative 0.1521 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0035 0.0143 0.406
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0055 0.0052
Brugia malayi hypothetical protein 0.0014 0.0003 0.0002
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0035 0.0143 1
Brugia malayi hypothetical protein 0.0025 0.0077 0.0076
Loa Loa (eye worm) transcription factor SMAD2 0.0629 0.4085 0.4084
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0055 0.0052
Schistosoma mansoni Smad4 0.0019 0.0039 0.0036
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0397 0.2547 0.2547
Echinococcus granulosus cpg binding protein 0.0037 0.0155 0.0485
Entamoeba histolytica hypothetical protein 0.0043 0.02 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0031 0.0028
Plasmodium falciparum phd finger protein, putative 0.0035 0.0145 1
Echinococcus multilocularis Chromobox protein 3 0.0014 0.0003 0.0009
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0077 0.5219
Schistosoma mansoni hypothetical protein 0.0043 0.02 0.0197
Loa Loa (eye worm) helicase 0.0014 0.0003 0.0002
Schistosoma mansoni cpg binding protein 0.0035 0.0142 0.0139
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0055 0.0052
Loa Loa (eye worm) MH1 domain-containing protein 0.0043 0.0196 0.0195
Brugia malayi chromobox protein homolog 3 0.0047 0.0224 0.0223
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0278 0.0277
Mycobacterium ulcerans glutaminase 0.1521 1 0.5
Echinococcus multilocularis chromobox protein 2 0.0014 0.0003 0.0009
Echinococcus multilocularis GPCR, family 2 0.0049 0.0236 0.0742
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0145 0.0144
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0035 0.0143 0.9838
Loa Loa (eye worm) RNA binding protein 0.0397 0.2547 0.2547
Brugia malayi MH1 domain containing protein 0.0024 0.0069 0.0068
Loa Loa (eye worm) hypothetical protein 0.0035 0.0145 0.0144
Schistosoma mansoni hypothetical protein 0.0106 0.0614 0.0611
Echinococcus granulosus mothers against decapentaplegic 5 0.0043 0.0196 0.0614
Loa Loa (eye worm) TAR-binding protein 0.0397 0.2547 0.2547
Brugia malayi MH2 domain containing protein 0.0019 0.0039 0.0038
Echinococcus granulosus mothers against decapentaplegic 6 0.0019 0.0039 0.0121
Loa Loa (eye worm) hypothetical protein 0.0195 0.1203 0.1202
Echinococcus multilocularis geminin 0.0205 0.1269 0.398
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0035 0.0143 1
Brugia malayi Valyl-tRNA synthetase 0.0014 0.0003 0.0002
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0399 0.0397
Toxoplasma gondii isocitrate dehydrogenase 0.0035 0.0143 0.406
Brugia malayi hypothetical protein 0.0016 0.0018 0.0017
Schistosoma mansoni Smad4 0.0019 0.0039 0.0036
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0027 0.0024
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0019 0.0039 0.0298
Echinococcus granulosus mothers against decapentaplegic 2 0.0019 0.0039 0.0121
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0043 0.0196 0.0614
Brugia malayi F/Y-rich N-terminus family protein 0.0022 0.0058 0.0057
Echinococcus granulosus chromobox protein 2 0.0014 0.0003 0.0009
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0035 0.0143 0.9838
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0347 1
Echinococcus granulosus Smad4 0.0043 0.0196 0.0614
Echinococcus multilocularis tar DNA binding protein 0.0397 0.2547 0.7991
Loa Loa (eye worm) hypothetical protein 0.0047 0.0224 0.0223
Loa Loa (eye worm) hypothetical protein 0.0155 0.0938 0.0938
Schistosoma mansoni tar DNA-binding protein 0.0397 0.2547 0.2545
Schistosoma mansoni hypothetical protein 0.0494 0.3188 0.3186
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0014 0.0003 0.0002
Brugia malayi Smad1 0.0043 0.0196 0.0195
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0055 0.0052
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0236 0.0742
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0143 0.0448
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0278 0.0275
Plasmodium falciparum heterochromatin protein 1 0.0014 0.0003 0.0069
Brugia malayi MH2 domain containing protein 0.0043 0.0196 0.0195
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0035 0.0143 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.047 0.0469
Loa Loa (eye worm) glutaminase 2 0.1521 1 1
Brugia malayi MH1 domain containing protein 0.0043 0.0196 0.0195
Brugia malayi jmjC domain containing protein 0.0045 0.0207 0.0206
Echinococcus multilocularis mothers against decapentaplegic 2 0.0019 0.0039 0.0121
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0207 0.0206
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0002
Echinococcus multilocularis mothers against decapentaplegic 5 0.0043 0.0196 0.0614
Schistosoma mansoni glutaminase 0.1521 1 1
Brugia malayi Isocitrate dehydrogenase 0.0035 0.0143 0.0142
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0077 0.5219
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0143 0.0448
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0195 0.1203 1
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0207 0.065
Brugia malayi Protein cec-1. 0.0014 0.0003 0.0002
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0003 0.0069
Echinococcus multilocularis mothers against decapentaplegic 6 0.0019 0.0039 0.0121
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0077 0.2141
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0143 0.0448
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0236 0.0236
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0145 0.0455
Brugia malayi isocitrate dehydrogenase 0.0035 0.0143 0.0142
Echinococcus granulosus Chromobox protein 3 0.0014 0.0003 0.0009
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0278 0.0277
Brugia malayi Calcitonin receptor-like protein seb-1 0.0155 0.0938 0.0938
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0014 0.0003 0.0009
Trichomonas vaginalis chromobox protein, putative 0.0084 0.047 0.0467
Echinococcus granulosus GPCR family 2 0.0049 0.0236 0.0742
Schistosoma mansoni tar DNA-binding protein 0.0397 0.2547 0.2545
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0002
Brugia malayi hypothetical protein 0.0043 0.02 0.0199
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.02 0.0197
Trichomonas vaginalis chromobox protein, putative 0.0084 0.047 0.0467
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0014 0.0003 0.0069
Giardia lamblia PHD finger protein 15 0.0035 0.0145 0.5
Loa Loa (eye worm) glutaminase 0.1521 1 1
Plasmodium vivax heterochromatin protein 1, putative 0.0014 0.0003 0.0069
Loa Loa (eye worm) MH2 domain-containing protein 0.0019 0.0039 0.0038
Brugia malayi Associated with TFs and helicases family protein 0.0014 0.0003 0.0002
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0142 0.0141
Schistosoma mansoni smad1 5 8 and 0.0043 0.0196 0.0193
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0015 0.0008 0.0005
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0016 0.0016 0.005
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0003 0.0069
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.3188 1
Brugia malayi RNA recognition motif domain containing protein 0.0397 0.2547 0.2547
Loa Loa (eye worm) hypothetical protein 0.0019 0.0039 0.0038
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0248 0.0245
Brugia malayi MH1 domain containing protein 0.0024 0.0069 0.0068
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0248 0.0245
Entamoeba histolytica hypothetical protein 0.0043 0.02 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0207 0.0204
Onchocerca volvulus 0.0166 0.1015 0.843
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0145 0.0142
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0055 0.0052
Brugia malayi MH1 domain containing protein 0.0043 0.0196 0.0195
Echinococcus granulosus chromobox protein 1 0.0084 0.047 0.1473
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0278 0.0872
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.02 0.0626
Schistosoma mansoni hypothetical protein 0.0049 0.0236 0.0234
Schistosoma mansoni smad1 5 8 and 0.0043 0.0196 0.0193
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0236 0.0742
Schistosoma mansoni cpg binding protein 0.0037 0.0155 0.0152
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0035 0.0143 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0077 0.5219
Echinococcus multilocularis peregrin 0.0035 0.0145 0.0455
Schistosoma mansoni tar DNA-binding protein 0.0397 0.2547 0.2545
Loa Loa (eye worm) hypothetical protein 0.006 0.0312 0.0311
Loa Loa (eye worm) hypothetical protein 0.0049 0.0236 0.0236
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0055 0.0052
Loa Loa (eye worm) hypothetical protein 0.0014 0.0003 0.0002

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 11.6891 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) 16.3601 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) 18.3564 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) 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 Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 23.0999 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) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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