Detailed information for compound 1418076

Basic information

Technical information
  • TDR Targets ID: 1418076
  • Name: 1-(5-phenyl-3-quinoxalin-6-yl-4,5-dihydropyra zol-1-yl)ethanone
  • MW: 316.357 | Formula: C19H16N4O
  • H donors: 0 H acceptors: 3 LogP: 1.99 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)N1N=C(CC1c1ccccc1)c1ccc2c(c1)nccn2
  • InChi: 1S/C19H16N4O/c1-13(24)23-19(14-5-3-2-4-6-14)12-17(22-23)15-7-8-16-18(11-15)21-10-9-20-16/h2-11,19H,12H2,1H3
  • InChiKey: VLFBMNZAKSLYOL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[5-phenyl-3-(6-quinoxalinyl)-4,5-dihydropyrazol-1-yl]ethanone
  • SMR000200523
  • 6-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)quinoxaline
  • MLS000581915

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0018 0.0099 0.0099
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0151 0.0151
Brugia malayi Isocitrate dehydrogenase 0.0016 0.006 0.006
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0139 0.2622 0.4884
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0239 0.0581
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0535 0.0535
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0151 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0151 0.0151
Schistosoma mansoni hypothetical protein 0.0016 0.0059 0.0059
Brugia malayi PHD-finger family protein 0.0026 0.0281 0.0281
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.006 0.0145
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0096 0.1715 0.1715
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0151 0.0151
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.0714 0.0714
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0151 0.0151
Brugia malayi nuclear receptor NHR-88 0.002 0.0151 0.0151
Toxoplasma gondii NAC domain-containing protein 0.0035 0.0455 0.1735
Brugia malayi F/Y-rich N-terminus family protein 0.0021 0.0173 0.0173
Onchocerca volvulus 0.0495 1 1
Echinococcus multilocularis zinc finger protein 0.0021 0.0171 0.0171
Leishmania major hypothetical protein, conserved 0.0212 0.4118 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0151 0.0151
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0998 0.0998
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0151 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0151 0.0151
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0086 0.0086
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0151 0.0151
Brugia malayi glutaminase DH11.1 0.0272 0.5367 0.5367
Echinococcus granulosus peregrin 0.0031 0.0384 0.0384
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0151 0.0151
Echinococcus multilocularis citrate lyase subunit beta protein 0.0024 0.0239 0.0239
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0455 0.1104
Leishmania major basic transcription factor 3a, putative 0.0035 0.0455 0.1104
Loa Loa (eye worm) ICD-1 protein 0.0035 0.0455 0.0455
Loa Loa (eye worm) hypothetical protein 0.002 0.0151 0.0151
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.006 0.0145
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0335 0.0335
Schistosoma mansoni jumonji domain containing protein 0.0075 0.1298 0.1298
Mycobacterium ulcerans hypothetical protein 0.0024 0.0239 0.0446
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0535 0.0535
Toxoplasma gondii transporter, cation channel family protein 0.002 0.0149 0.0568
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0362 0.0362
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0151 0.0151
Schistosoma mansoni cpg binding protein 0.0029 0.0326 0.0326
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0151 0.0151
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.006 0.006
Brugia malayi MH2 domain containing protein 0.0144 0.2722 0.2722
Schistosoma mansoni hypothetical protein 0.0021 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0495 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0574 0.0574
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0455 0.042
Mycobacterium leprae conserved hypothetical protein 0.0139 0.2622 1
Loa Loa (eye worm) hypothetical protein 0.0255 0.5015 0.5015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0151 0.0151
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0151 0.0151
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0151 0.0151
Brugia malayi nuclear hormone receptor 0.002 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0029 0.0335 0.0335
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0455 0.042
Brugia malayi Bromodomain containing protein 0.0076 0.1314 0.1314
Brugia malayi Pre-SET motif family protein 0.003 0.0362 0.0362
Echinococcus multilocularis amyloid beta A4 protein 0.0068 0.115 0.115
Loa Loa (eye worm) hypothetical protein 0.0044 0.0647 0.0647
Trichomonas vaginalis set domain proteins, putative 0.0236 0.4628 0.8559
Schistosoma mansoni glutaminase 0.0272 0.5367 0.5367
Schistosoma mansoni hypothetical protein 0.0016 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0034 0.0437 0.0437
Echinococcus granulosus L aminoadipate semialdehyde 0.0495 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0535 0.0535
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0151 0.0151
Brugia malayi Bromodomain containing protein 0.0031 0.0384 0.0384
Echinococcus granulosus zinc finger protein 0.0021 0.0171 0.0171
Brugia malayi jmjC domain containing protein 0.0039 0.0535 0.0535
Loa Loa (eye worm) hypothetical protein 0.0018 0.0099 0.0099
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.006 0.006
Schistosoma mansoni hypothetical protein 0.0016 0.0059 0.0059
Schistosoma mansoni thyroid hormone receptor 0.002 0.0151 0.0151
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0335 0.0335
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0059 0.0059
Trypanosoma cruzi ISWI complex protein 0.0015 0.005 0.012
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0096 0.1715 0.1715
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2722 0.2722
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0455 0.042
Echinococcus granulosus cpg binding protein 0.0032 0.0399 0.0399
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0714 0.0714
Echinococcus multilocularis cpg binding protein 0.0032 0.0399 0.0399
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0096 0.1715 0.1715
Schistosoma mansoni voltage-gated cation channel 0.0096 0.1715 0.1715
Loa Loa (eye worm) hypothetical protein 0.002 0.0151 0.0151
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0059 0.0059
Echinococcus granulosus citrate lyase subunit beta protein 0.0024 0.0239 0.0239
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1012 0.1012
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0096 0.1715 0.1715
Loa Loa (eye worm) hypothetical protein 0.0066 0.1094 0.1094
Schistosoma mansoni hypothetical protein 0.0029 0.0335 0.0335
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0139 0.2622 1
Loa Loa (eye worm) glutaminase 2 0.0272 0.5367 0.5367
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0151 0.0151
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0326 0.0326
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0362 0.1382
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0013 0.0001 0.0001
Schistosoma mansoni cpg binding protein 0.0032 0.0399 0.0399
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0139 0.2622 1
Loa Loa (eye worm) voltage-dependent calcium channel 0.002 0.0149 0.0149
Schistosoma mansoni nuclear hormone receptor 0.002 0.0151 0.0151
Mycobacterium ulcerans hypothetical protein 0.0024 0.0239 0.0446
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0151 0.0151
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0955 0.0955
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0239 0.0446
Echinococcus multilocularis L aminoadipate semialdehyde 0.0495 1 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0086 0.0086
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0086 0.0086
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0139 0.2622 1
Echinococcus multilocularis voltage dependent calcium channel 0.0096 0.1715 0.1715
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0096 0.1715 0.1715
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0362 0.0362
Schistosoma mansoni cpg binding protein 0.0032 0.0399 0.0399
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0233 0.0233
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0998 0.0998
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0139 0.2622 0.5
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0024 0.0239 0.0446
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0335 0.1278
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.006 0.0229
Trypanosoma brucei transcription factor BTF3, putative 0.0035 0.0455 0.1104
Loa Loa (eye worm) hypothetical protein 0.002 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.005 0.0764 0.0764
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0335 0.1074
Trypanosoma cruzi hypothetical protein, conserved 0.0212 0.4118 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0475 0.0475
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0151 0.0151
Echinococcus granulosus FTZ F1 alpha 0.002 0.0151 0.0151
Echinococcus granulosus jumonji domain containing protein 0.004 0.057 0.057
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0151 0.0151
Mycobacterium tuberculosis Conserved protein 0.0024 0.0239 0.0912
Echinococcus multilocularis voltage dependent calcium channel 0.0096 0.1715 0.1715
Loa Loa (eye worm) hypothetical protein 0.002 0.0151 0.0151
Brugia malayi beta-NAC-like protein 0.0035 0.0455 0.0455
Onchocerca volvulus 0.003 0.0362 0.0215
Plasmodium vivax basic transcription factor 3b, putative 0.0035 0.0455 0.1542
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.0714 0.0714
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0151 0.0151
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0151 0.0151
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0151 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0151 0.0151
Trypanosoma cruzi ISWI complex protein 0.0015 0.005 0.012
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0335 0.0335
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0762 0.0762
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0024 0.0239 0.0912
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0139 0.2622 1
Brugia malayi PHD-finger family protein 0.0013 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.007 0.1192 0.1192
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0151 0.0151
Schistosoma mansoni hypothetical protein 0.0034 0.0437 0.0437
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0455 0.1104
Brugia malayi photoreceptor-specific nuclear receptor 0.0255 0.5015 0.5015
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0096 0.1715 0.1715
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.006 0.0145
Loa Loa (eye worm) hypothetical protein 0.002 0.0151 0.0151
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0013 0.0004 0.0004
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.006 0.006
Toxoplasma gondii hypothetical protein 0.0018 0.0099 0.0378
Schistosoma mansoni bromodomain containing protein 0.0065 0.1072 0.1072
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0096 0.1715 0.1715
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0535 0.0535
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative 0.0061 0.1 0.1
Trypanosoma brucei hypothetical protein, conserved 0.0139 0.2622 0.6366
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0762 0.0762
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0927 0.3536
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.006 0.006
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0151 0.0151
Schistosoma mansoni hypothetical protein 0.0015 0.005 0.005
Plasmodium vivax SET domain protein, putative 0.003 0.0362 0.1181
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0058 0.0939 0.228
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0151 0.0151
Trypanosoma brucei hypothetical protein, conserved 0.0212 0.4118 1
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.002 0.0149 0.0149
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0239 0.0581
Brugia malayi Pre-SET motif family protein 0.0208 0.4036 0.4036
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0462 0.0462
Brugia malayi PHD-finger family protein 0.0029 0.0335 0.0335
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0714 0.0714
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0059 0.0059
Schistosoma mansoni amyloid beta A4 protein related 0.0068 0.115 0.115
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0151 0.0151
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0098 0.0098
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0139 0.2622 0.5
Leishmania major hypothetical protein, conserved 0.0015 0.005 0.012
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0335 0.0335
Echinococcus granulosus voltage dependent calcium channel 0.0096 0.1715 0.1715
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0151 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0151 0.0151
Echinococcus multilocularis transcription factor btf3 0.0035 0.0455 0.0455
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0151 0.0151
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0151 0.0151
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.1702 0.1702
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0233 0.0233
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.4036 0.4036
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0151 0.0151
Echinococcus multilocularis peregrin 0.0031 0.0384 0.0384
Brugia malayi ecdysteroid receptor 0.002 0.0151 0.0151
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0151 0.0151
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0013 0.0001 0.0001
Plasmodium falciparum phd finger protein, putative 0.0029 0.0335 0.1074
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0151 0.0151
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0151 0.0151
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0239 0.0581
Loa Loa (eye worm) hypothetical protein 0.0047 0.0714 0.0714
Entamoeba histolytica hypothetical protein 0.0139 0.2622 1
Brugia malayi isocitrate dehydrogenase 0.0016 0.006 0.006
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0059 0.0059
Brugia malayi jmjC domain containing protein 0.0095 0.1702 0.1702
Brugia malayi steroid hormone receptor 0.002 0.0151 0.0151
Giardia lamblia PHD finger protein 15 0.0029 0.0335 0.5
Echinococcus granulosus GPCR family 2 0.0016 0.0059 0.0059
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0495 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.006 0.0229
Plasmodium falciparum basic transcription factor 3b, putative 0.0035 0.0455 0.1542
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0151 0.0151
Onchocerca volvulus 0.0236 0.4628 0.4546
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.006 0.006
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0151 0.0151
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0335 0.1278
Schistosoma mansoni transcription factor btf3 0.0035 0.0455 0.0455
Schistosoma mansoni hypothetical protein 0.0016 0.0059 0.0059
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0096 0.1715 0.1715
Loa Loa (eye worm) X11 protein 0.0068 0.115 0.115
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0151 0.0151
Brugia malayi Bromodomain containing protein 0.0038 0.0524 0.0524
Schistosoma mansoni coup transcription factor 0.002 0.0151 0.0151
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.006 0.006
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0475 0.0475
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0059 0.0059
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0139 0.2622 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.006 0.0229
Onchocerca volvulus Alhambra homolog 0.0029 0.0335 0.0187
Loa Loa (eye worm) hypothetical protein 0.005 0.0762 0.0762
Brugia malayi hypothetical protein 0.0066 0.1094 0.1094
Echinococcus multilocularis sodium channel protein 0.0041 0.0574 0.0574
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0059 0.0059
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0362 0.0362
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0151 0.0151
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.006 0.006
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0096 0.1715 0.1715
Loa Loa (eye worm) hypothetical protein 0.002 0.0151 0.0151
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0151 0.0151
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.1702 0.1702
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.006 0.0145
Loa Loa (eye worm) hypothetical protein 0.0038 0.0525 0.0525
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0233 0.0233
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2722 0.2722
Brugia malayi Cytochrome P450 family protein 0.0059 0.0955 0.0955
Leishmania major phosphopantetheinyl transferase-like protein 0.0139 0.2622 0.6366
Schistosoma mansoni zinc finger protein 0.0021 0.0171 0.0171
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0975 0.0975
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0151 0.0151
Onchocerca volvulus 0.0029 0.0326 0.0178
Schistosoma mansoni thyroid hormone receptor 0.002 0.0151 0.0151
Trichomonas vaginalis glutaminase, putative 0.0272 0.5367 1
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0058 0.0939 0.228
Echinococcus granulosus amyloid beta A4 protein 0.0068 0.115 0.115
Echinococcus granulosus transcription factor btf3 0.0035 0.0455 0.0455
Echinococcus granulosus voltage dependent calcium channel 0.002 0.0149 0.0149
Mycobacterium ulcerans glutaminase 0.0272 0.5367 1
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0041 0.0574 0.0574
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0151 0.0151
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0139 0.2622 0.4884
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0139 0.2622 1
Trypanosoma cruzi hypothetical protein, conserved 0.0212 0.4118 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0096 0.1715 0.1715
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.006 0.0145
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0018 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0016 0.0059 0.0059
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.016 0.016
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0762 0.0762
Loa Loa (eye worm) hypothetical protein 0.002 0.0151 0.0151
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0151 0.0151
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0437 0.0437
Loa Loa (eye worm) calcium channel 0.0096 0.1715 0.1715
Schistosoma mansoni zinc finger protein 0.0015 0.005 0.005
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0096 0.1715 0.1715
Echinococcus multilocularis jumonji domain containing protein 0.004 0.057 0.057
Brugia malayi CXXC zinc finger family protein 0.0029 0.0326 0.0326
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0239 0.0446
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0151 0.0151
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0086 0.0086
Trypanosoma brucei ISWI complex protein 0.0015 0.005 0.012
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.006 0.006
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0059 0.0059
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0151 0.0151
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0327 0.0327
Echinococcus multilocularis GPCR, family 2 0.0016 0.0059 0.0059
Loa Loa (eye worm) glutaminase 0.0272 0.5367 0.5367

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 1.122018454 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.548133892 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 14.12537545 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 25.11886432 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 1.6511 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) 2.2387 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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