Detailed information for compound 1276030

Basic information

Technical information
  • TDR Targets ID: 1276030
  • Name: [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5 -yl)-2-oxoethyl] quinoline-4-carboxylate
  • MW: 368.343 | Formula: C18H16N4O5
  • H donors: 1 H acceptors: 5 LogP: 1.21 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccnc2c1cccc2)OCC(=O)c1c(N)n(C)c(=O)n(c1=O)C
  • InChi: 1S/C18H16N4O5/c1-21-15(19)14(16(24)22(2)18(21)26)13(23)9-27-17(25)11-7-8-20-12-6-4-3-5-10(11)12/h3-8H,9,19H2,1-2H3
  • InChiKey: JQKXLBMNJYRHOL-UHFFFAOYSA-N  

Network

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Synonyms

  • [2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] quinoline-4-carboxylate
  • 4-quinolinecarboxylic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester
  • cinchoninic acid [2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl] ester
  • NCGC00142272-01
  • CC-PMLSC-DMA-P78
  • MLS000889053
  • SMR000209025
  • SDCCGMLS-0091832.P001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens lamin A/C 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0077 0.0626 0.1792
Mycobacterium ulcerans hypothetical protein 0.0023 0.006 0.0096
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0067 0.0517 0.143
Trichomonas vaginalis rotamase, putative 0.0032 0.015 0.0253
Giardia lamblia Kinase, CMGC CDK 0.0042 0.0259 0.0693
Trichomonas vaginalis replication factor C large subunit, putative 0.0026 0.0088 0.0000014141
Echinococcus granulosus histone deacetylase 0.0308 0.3028 0.5419
Loa Loa (eye worm) hypothetical protein 0.025 0.2416 0.798
Brugia malayi Histone deacetylase family protein 0.0308 0.3028 1
Trichomonas vaginalis rotamase, putative 0.0032 0.0158 0.0285
Trypanosoma cruzi FHA domain containing protein, putative 0.0026 0.0088 0.0249
Echinococcus granulosus histone deacetylase 3 0.0263 0.2555 0.456
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0026 0.0088 0.0000014141
Mycobacterium tuberculosis Possible oxidoreductase 0.0044 0.0279 0.0476
Schistosoma mansoni hypothetical protein 0.0175 0.1645 0.5185
Echinococcus granulosus replication factor c subunit 1 0.0026 0.0088 0.0071
Schistosoma mansoni intermediate filament proteins 0.0033 0.016 0.024
Echinococcus multilocularis histone deacetylase 3 0.0263 0.2555 0.2489
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.0088 0.0249
Schistosoma mansoni serine/threonine protein kinase 0.0042 0.0259 0.057
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0044 0.0279 0.0802
Onchocerca volvulus 0.0048 0.032 0.2653
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.006 0.0046
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0291 0.2846 0.8146
Loa Loa (eye worm) hypothetical protein 0.0044 0.0279 0.092
Brugia malayi hypothetical protein 0.0119 0.1063 0.3507
Trypanosoma cruzi cdc2-related kinase 1 0.0042 0.0259 0.0817
Trypanosoma cruzi histone deacetylase, putative 0.0308 0.3028 1
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0178 0.1669 1
Trichomonas vaginalis CMGC family protein kinase 0.0042 0.0259 0.0693
Chlamydia trachomatis protoporphyrinogen oxidase 0.0044 0.0279 0.0802
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0032 0.015 0.0405
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0044 0.0279 0.0802
Trypanosoma brucei poly(adp-ribose) polymerase 0.0077 0.0626 0.2034
Echinococcus granulosus lamin dm0 0.0033 0.016 0.0202
Brugia malayi Protein kinase domain containing protein 0.0042 0.0259 0.0847
Chlamydia trachomatis UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0178 0.1669 0.4804
Schistosoma mansoni histone deacetylase 4 5 0.0308 0.3028 0.9792
Onchocerca volvulus Histone deacetylase 10 homolog 0.013 0.1172 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.006 0.0191
Echinococcus granulosus histone deacetylase 8 0.013 0.1172 0.2042
Echinococcus granulosus tumor protein p63 0.0328 0.3228 0.5783
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0044 0.0279 0.0193
Schistosoma mansoni lamin 0.0033 0.016 0.024
Loa Loa (eye worm) hypothetical protein 0.0119 0.1063 0.3512
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.015 0.0456
Plasmodium falciparum protoporphyrinogen oxidase 0.0044 0.0279 0.0802
Loa Loa (eye worm) hypothetical protein 0.0018 0.0013 0.0042
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0026 0.0088 0.0156
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.006 0.0096
Mycobacterium ulcerans dehydrogenase 0.0044 0.0279 0.0441
Toxoplasma gondii histone deacetylase HDAC1 0.0308 0.3028 0.8683
Echinococcus granulosus histone deacetylase 6 0.0308 0.3028 0.5419
Trypanosoma cruzi UDP-galactopyranose mutase 0.0044 0.0279 0.0882
Schistosoma mansoni chromosome transmission fidelity factor 0.0026 0.0088 0.0000011622
Brugia malayi AMP-binding enzyme family protein 0.0023 0.006 0.0191
Loa Loa (eye worm) hypothetical protein 0.0026 0.0088 0.029
Schistosoma mansoni 3-dehydroquinate synthase 0.0113 0.0999 0.3034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0775 0.2288
Echinococcus multilocularis histone deacetylase 1 0.0263 0.2555 0.2489
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.006 0.0159
Echinococcus granulosus lamin 0.0033 0.016 0.0202
Trypanosoma cruzi histone deacetylase 1, putative 0.0263 0.2555 0.8434
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.006 0.0159
Echinococcus multilocularis cyclin dependent kinase 0.0042 0.0259 0.0173
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0263 0.2555 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.0775 0.2552
Echinococcus granulosus histone deacetylase 7 0.0308 0.3028 0.5419
Loa Loa (eye worm) hypothetical protein 0.0026 0.0088 0.029
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0026 0.0088 0.0249
Echinococcus multilocularis protoporphyrinogen oxidase 0.0044 0.0279 0.0193
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0026 0.0088 0.0139
Loa Loa (eye worm) hypothetical protein 0.0048 0.032 0.1057
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0263 0.2555 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0044 0.0279 0.0802
Trypanosoma cruzi cdc2-related kinase 3 0.0042 0.0259 0.0817
Loa Loa (eye worm) hypothetical protein 0.0026 0.0088 0.029
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.02
Echinococcus granulosus cyclin dependent kinase 0.0042 0.0259 0.0382
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0166 0.1552 0.4324
Loa Loa (eye worm) hypothetical protein 0.0026 0.0088 0.029
Brugia malayi DKFZp564C0469 protein 0.0026 0.0088 0.0281
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.015 0.0456
Onchocerca volvulus 0.0023 0.006 0.0413
Echinococcus granulosus WGR domain containing protein 0.0044 0.0276 0.0414
Leishmania major histone deacetylase, putative 0.0263 0.2555 0.8434
Schistosoma mansoni histone deacetylase 4 5 0.0308 0.3028 0.9792
Schistosoma mansoni CDGSH-type Zn finger-containing protein-like protein 0.0266 0.2583 0.8311
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.016 0.0528
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.02
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0042 0.0259 0.0817
Echinococcus granulosus histone deacetylase 1 0.0263 0.2555 0.456
Echinococcus granulosus nibrin 0.0026 0.0088 0.0071
Brugia malayi histone deacetylase 11 0.013 0.1172 0.3864
Echinococcus multilocularis lamin 0.0033 0.016 0.0073
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0042 0.0259 0.0855
Trichomonas vaginalis CMGC family protein kinase 0.0042 0.0259 0.0693
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.0775 0.2559
Mycobacterium leprae 3-dehydroquinate synthase AroB 0.0113 0.0999 0.3368
Trypanosoma brucei histone deacetylase, putative 0.0308 0.3028 1
Mycobacterium ulcerans chorismate synthase 0.0351 0.3474 0.5502
Trichomonas vaginalis histone deacetylase, putative 0.0263 0.2555 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.1678 0.5541
Trypanosoma cruzi histone deacetylase, putative 0.0308 0.3028 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.006 0.0096
Echinococcus multilocularis histone deacetylase 8 0.013 0.1172 0.1093
Brugia malayi hypothetical protein 0.0044 0.0279 0.0912
Leishmania major histone deacetylase, putative 0.0263 0.2555 0.8434
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.006 0.0103
Loa Loa (eye worm) hypothetical protein 0.0119 0.1063 0.3512
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0042 0.0259 0.0505
Plasmodium falciparum chorismate synthase 0.0351 0.3474 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0044 0.0279 0.0783
Chlamydia trachomatis dehyroquinate synthase 0.0113 0.0999 0.2875
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0026 0.0088 0.0249
Echinococcus multilocularis expressed protein 0.0032 0.0158 0.0071
Loa Loa (eye worm) hypothetical protein 0.0044 0.0279 0.092
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0775 0.132
Mycobacterium tuberculosis 3-dehydroquinate synthase AroB 0.0113 0.0999 0.1705
Loa Loa (eye worm) hypothetical protein 0.0026 0.0088 0.029
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0141 0.1285 0.4934
Echinococcus granulosus cdgsh iron sulfur domain containing protein 0.0251 0.2426 0.4325
Loa Loa (eye worm) hypothetical protein 0.005 0.0344 0.1135
Schistosoma mansoni hypothetical protein 0.0266 0.2583 0.8311
Toxoplasma gondii peptidylprolyl isomerase 0.0032 0.015 0.0184
Trichomonas vaginalis histone deacetylase, putative 0.0263 0.2555 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.006 0.0159
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0178 0.1669 1
Plasmodium falciparum histone deacetylase 1 0.0263 0.2555 0.7356
Trichomonas vaginalis histone deacetylase, putative 0.0263 0.2555 1
Echinococcus granulosus poly (ADP ribose) polymerase 0.0044 0.0276 0.0414
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0003 0.0009
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0178 0.1669 0.2643
Echinococcus multilocularis histone deacetylase 7 0.0308 0.3028 0.2966
Loa Loa (eye worm) hypothetical protein 0.0044 0.0279 0.092
Loa Loa (eye worm) hypothetical protein 0.013 0.1172 0.3869
Trypanosoma brucei cdc2-related kinase 3 0.0042 0.0259 0.0817
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0158 0.0285
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.006 0.0046
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0581 0.5857 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0141 0.1285 0.3989
Brugia malayi AMP-binding enzyme family protein 0.0023 0.006 0.0191
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.006 0.0096
Plasmodium vivax replication factor C subunit 1, putative 0.0026 0.0088 0.0253
Echinococcus granulosus histone deacetylase 6 0.0308 0.3028 0.5419
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0625 0.6314 1
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0032 0.0158 0.0522
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.025 0.2416 0.4306
Echinococcus multilocularis histone deacetylase 6 0.0308 0.3028 0.2966
Leishmania major UDP-galactopyranose mutase 0.0044 0.0279 0.0882
Plasmodium vivax histone deacetylase, putative 0.013 0.1172 0.3373
Brugia malayi cell division control protein 2 homolog 0.0042 0.0259 0.0847
Schistosoma mansoni rotamase 0.0032 0.0158 0.0234
Leishmania major histone deacetylase, putative 0.0308 0.3028 1
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0077 0.0626 0.0543
Echinococcus granulosus cyclin dependent kinase 5 0.0042 0.0259 0.0382
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0344 0.1127
Echinococcus multilocularis cdgsh iron sulfur domain containing protein 0.0251 0.2426 0.2359
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0026 0.0088 0.0098
Entamoeba histolytica histone deacetylase, putative 0.0263 0.2555 1
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0032 0.0157 0.007
Toxoplasma gondii histone deacetylase HDAC4 0.013 0.1172 0.3201
Schistosoma mansoni lamin 0.0033 0.016 0.024
Trypanosoma brucei histone deacetylase 3 0.0308 0.3028 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0044 0.0279 0.0802
Plasmodium vivax chorismate synthase 0.0351 0.3474 1
Schistosoma mansoni serine/threonine protein kinase 0.0042 0.0259 0.057
Onchocerca volvulus 0.0033 0.016 0.1271
Trypanosoma cruzi UDP-galactopyranose mutase 0.0044 0.0279 0.0882
Plasmodium vivax hypothetical protein, conserved 0.0044 0.0279 0.0802
Brugia malayi amine oxidase, flavin-containing family protein 0.0044 0.0279 0.0912
Plasmodium vivax histone deacetylase 1, putative 0.0263 0.2555 0.7356
Trypanosoma brucei histone deacetylase 2 0.013 0.1172 0.3844
Echinococcus granulosus histone deacetylase 6 0.0314 0.309 0.5533
Trypanosoma brucei cdc2-related kinase 1 0.0042 0.0259 0.0817
Plasmodium vivax histone deacetylase, putative 0.0308 0.3028 0.8716
Onchocerca volvulus 0.0044 0.0279 0.2296
Loa Loa (eye worm) hypothetical protein 0.0044 0.0279 0.092
Loa Loa (eye worm) histone deacetylase 7A 0.0308 0.3028 1
Plasmodium vivax hypothetical protein, conserved 0.0044 0.0279 0.0802
Trichomonas vaginalis histone deacetylase, putative 0.0263 0.2555 1
Brugia malayi intermediate filament protein 0.0033 0.016 0.052
Echinococcus multilocularis cyclin dependent kinase 5 0.0042 0.0259 0.0173
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.025 0.2416 0.7754
Echinococcus granulosus geminin 0.0175 0.1645 0.2903
Echinococcus multilocularis histone deacetylase 6 0.0308 0.3028 0.2966
Trypanosoma cruzi histone deacetylase, putative 0.013 0.1172 0.3844
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0775 0.0693
Loa Loa (eye worm) hypothetical protein 0.0044 0.0279 0.092
Loa Loa (eye worm) hypothetical protein 0.0185 0.174 0.5747
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.02
Giardia lamblia Histone deacetylase 0.0263 0.2555 1
Onchocerca volvulus 0.0033 0.016 0.1271
Echinococcus granulosus expressed protein 0.0032 0.0158 0.0199
Loa Loa (eye worm) intermediate filament protein 0.0033 0.016 0.0528
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.006 0.0096
Brugia malayi SWIRM domain containing protein 0.0044 0.0279 0.0912
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.006 0.0096
Mycobacterium ulcerans 3-dehydroquinate synthase 0.0113 0.0999 0.1582
Trypanosoma cruzi cdc2-related kinase 1 0.0042 0.0259 0.0817
Giardia lamblia Kinase, CMGC CDK 0.0042 0.0259 0.0693
Echinococcus granulosus intermediate filament protein 0.0033 0.016 0.0202
Toxoplasma gondii histone deacetylase HDAC3 0.0263 0.2555 0.7288
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0042 0.0259 0.0855
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.025 0.2416 0.2349
Loa Loa (eye worm) hypothetical protein 0.0263 0.2555 0.844
Schistosoma mansoni histone deacetylase 0.0263 0.2555 0.8219
Echinococcus multilocularis histone deacetylase 0.0308 0.3028 0.2966
Trypanosoma cruzi cdc2-related kinase 3 0.0042 0.0259 0.0817
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.0291 0.2846 0.8193
Mycobacterium tuberculosis 3-phosphoshikimate 1-carboxyvinyltransferase AroA (5-enolpyruvylshikimate-3-phosphate synthase) (EPSP synthase) (EPSPS) 0.0113 0.0999 0.1705
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0044 0.0279 0.0636
Loa Loa (eye worm) histone deacetylase 3 0.0263 0.2555 0.844
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0042 0.0259 0.0855
Leishmania major histone deacetylase, putative 0.0308 0.3028 1
Brugia malayi Uncharacterized hematopoietic stem/progenitor cells protein MDS029 0.0107 0.0929 0.3062
Brugia malayi hypothetical protein 0.0026 0.0088 0.0281
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0026 0.0088 0.0000014141
Echinococcus multilocularis cyclin dependent kinase 1 0.0042 0.0259 0.0173
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0625 0.6314 1
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0026 0.0088 0.0281
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0291 0.2846 0.4507
Loa Loa (eye worm) hypothetical protein 0.0107 0.0936 0.3091
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.016 0.052
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0044 0.0279 0.0441
Plasmodium vivax histone deacetylase 2, putative 0.0308 0.3028 0.8716
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0077 0.0626 0.2034
Mycobacterium ulcerans oxidoreductase 0.0044 0.0279 0.0441
Trypanosoma cruzi hypothetical protein, conserved 0.0026 0.0088 0.0249
Echinococcus multilocularis histone deacetylase 6 0.0314 0.309 0.3029
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0042 0.0259 0.0382
Trypanosoma cruzi histone deacetylase, putative 0.013 0.1172 0.3844
Onchocerca volvulus 0.0107 0.0929 0.7906
Echinococcus multilocularis musashi 0.0033 0.016 0.0073
Mycobacterium ulcerans monoamine oxidase 0.0044 0.0279 0.0441
Schistosoma mansoni hypothetical protein 0.0034 0.0178 0.0302
Loa Loa (eye worm) histone deacetylase 0.0308 0.3028 1
Brugia malayi histone deacetylase 3 (HD3) 0.0263 0.2555 0.8439
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0775 0.132
Chlamydia trachomatis DNA ligase 0.0026 0.0088 0.0253
Echinococcus granulosus lysine specific histone demethylase 1A 0.0044 0.0279 0.0418
Loa Loa (eye worm) hypothetical protein 0.0042 0.0254 0.0839
Plasmodium falciparum replication factor C subunit 1, putative 0.0026 0.0088 0.0253
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0056 0.0398 0.1316
Brugia malayi WGR domain containing protein 0.0141 0.1285 0.4241
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0291 0.2846 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0178 0.0581
Schistosoma mansoni histone deacetylase 0.0263 0.2555 0.8219
Mycobacterium leprae Chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase). 0.0173 0.1622 0.5608
Trypanosoma cruzi histone deacetylase, putative 0.0308 0.3028 1
Toxoplasma gondii histone deacetylase HDAC2 0.0263 0.2555 0.7288
Plasmodium vivax protein kinase Crk2 0.0042 0.0259 0.0745
Trichomonas vaginalis CMGC family protein kinase 0.0042 0.0259 0.0693
Brugia malayi Histone deacetylase family protein 0.0308 0.3028 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.015 0.0456
Trichomonas vaginalis histone deacetylase, putative 0.0263 0.2555 1
Echinococcus multilocularis lamin dm0 0.0033 0.016 0.0073
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0344 0.1135
Plasmodium falciparum protein kinase 5 0.0042 0.0259 0.0745
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.006 0.0046
Schistosoma mansoni histone deacetylase hda2 0.0314 0.309 1
Brugia malayi histone deacetylase 1 (HD1) 0.0263 0.2555 0.8439
Echinococcus multilocularis geminin 0.0175 0.1645 0.1571
Echinococcus multilocularis 0.0044 0.0279 0.0193
Trichomonas vaginalis histone deacetylase, putative 0.0263 0.2555 1
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.032 0.0773
Entamoeba histolytica cell division protein kinase 2, putative 0.0042 0.0259 0.0838
Entamoeba histolytica cell division protein kinase 2, putative 0.0042 0.0259 0.0838
Chlamydia trachomatis chorismate synthase 0.0351 0.3474 1
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0551 0.5546 1
Schistosoma mansoni histone deacetylase 1 2 3 0.013 0.1172 0.361
Brugia malayi hypothetical protein 0.0026 0.0088 0.0281
Loa Loa (eye worm) hypothetical protein 0.0044 0.0279 0.092
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0032 0.015 0.0456
Mycobacterium tuberculosis Probable chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase) 0.0173 0.1622 0.277
Brugia malayi Histone deacetylase 1 0.0263 0.2555 0.8439
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.006 0.0103
Onchocerca volvulus 0.0026 0.0088 0.0649
Toxoplasma gondii histone lysine-specific demethylase 0.0044 0.0279 0.0564
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0775 0.2288
Loa Loa (eye worm) histone deacetylase 11 0.013 0.1172 0.3869
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0775 0.0693
Echinococcus multilocularis replication factor c subunit 1 0.0026 0.0088 0.00000035204
Echinococcus granulosus lysine specific histone demethylase 1A 0.0044 0.0279 0.0418
Loa Loa (eye worm) hypothetical protein 0.0032 0.0154 0.0508
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0032 0.0158 0.0514
Loa Loa (eye worm) hypothetical protein 0.0107 0.0929 0.3068
Trypanosoma cruzi histone deacetylase 1, putative 0.0263 0.2555 0.8434
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0775 0.2288
Echinococcus granulosus poly adp ribose polymerase 2 0.0077 0.0626 0.105
Schistosoma mansoni amine oxidase 0.0044 0.0279 0.0636
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0044 0.0279 0.0564
Loa Loa (eye worm) hypothetical protein 0.0026 0.0088 0.029
Schistosoma mansoni hypothetical protein 0.0175 0.1645 0.5185
Brugia malayi topoisomerase 0.0026 0.0088 0.0281
Plasmodium falciparum histone deacetylase 2 0.0308 0.3028 0.8716
Loa Loa (eye worm) histone deacetylase 1 0.0263 0.2555 0.844
Toxoplasma gondii histone deacetylase HDAC5 0.013 0.1172 0.3201
Schistosoma mansoni amine oxidase 0.0044 0.0279 0.0636
Brugia malayi WGR domain containing protein 0.0077 0.0626 0.206
Loa Loa (eye worm) hypothetical protein 0.0077 0.0626 0.2067
Brugia malayi Pax transcription activation domain interacting protein 0.0026 0.0088 0.0281
Loa Loa (eye worm) hypothetical protein 0.0034 0.0178 0.0589
Plasmodium falciparum histone deacetylase, putative 0.0308 0.3028 0.8716
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0141 0.1285 0.1208
Toxoplasma gondii chorismate synthase, putative 0.0351 0.3474 1
Echinococcus multilocularis tumor protein p63 0.0328 0.3228 0.3168
Echinococcus multilocularis cyclin dependent kinase 1 0.0042 0.0259 0.0173
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0044 0.0279 0.0636
Mycobacterium tuberculosis Conserved hypothetical protein 0.0044 0.0279 0.0476
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0263 0.2555 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.016 0.0528
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.006 0.0096
Schistosoma mansoni histone deacetylase hda2 0.013 0.1172 0.361
Trypanosoma brucei histone deacetylase 1 0.0263 0.2555 0.8434
Entamoeba histolytica hypothetical protein 0.0026 0.0088 0.0156
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0077 0.0626 0.2034
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0344 0.1127
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0042 0.0259 0.0817
Trypanosoma brucei histone deacetylase 4 0.0308 0.3028 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.006 0.0096
Echinococcus granulosus cyclin dependent kinase 1 0.0042 0.0259 0.0382
Echinococcus granulosus poly ADP ribose polymerase 1 0.0141 0.1285 0.225

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5174 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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 (ADMET) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 28.1838 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) 29.0929 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 89.1251 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) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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