Detailed information for compound 1419529

Basic information

Technical information
  • TDR Targets ID: 1419529
  • Name: methyl 3-[4-(4-methylphenyl)-1-oxophthalazin- 2-yl]propanoate
  • MW: 322.358 | Formula: C19H18N2O3
  • H donors: 0 H acceptors: 2 LogP: 3.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)CCn1nc(c2ccc(cc2)C)c2c(c1=O)cccc2
  • InChi: 1S/C19H18N2O3/c1-13-7-9-14(10-8-13)18-15-5-3-4-6-16(15)19(23)21(20-18)12-11-17(22)24-2/h3-10H,11-12H2,1-2H3
  • InChiKey: BJGOFFUJMGOTPH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 3-[4-(4-methylphenyl)-1-oxo-phthalazin-2-yl]propanoate
  • 3-[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]propanoic acid methyl ester
  • 3-[1-keto-4-(4-methylphenyl)phthalazin-2-yl]propionic acid methyl ester
  • SMR000291039
  • MLS000718771
  • BAS 06574836
  • STK238581
  • ChemDiv3_005493
  • ZINC00543411
  • IDI1_023403
  • 3-(1-Oxo-4-p-tolyl-1H-phthalazin-2-yl)-propionic acid methyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
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
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0268 0.1561
Echinococcus multilocularis sodium:glucose cotransporter 2 0.171 1 1
Schistosoma mansoni hypothetical protein 0.0064 0.0214 0.0174
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0315 0.1707 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.009 0.0367 0.3969
Trypanosoma brucei unspecified product 0.0041 0.0078 0.0217
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0094 0.0053
Brugia malayi jmjC domain containing protein 0.0053 0.0152 0.0235
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0268 0.1561
Schistosoma mansoni protein phosphatase 2C 0.0053 0.0152 0.0111
Leishmania major mitochondrial DNA polymerase beta 0.0315 0.1707 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0121 0.0555 0.0516
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.01 0.0426 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0073 0.0268 1
Leishmania major carboxylase, putative 0.0062 0.0204 0.1185
Brugia malayi Sodium:solute symporter family protein 0.0436 0.2428 0.506
Schistosoma mansoni high-affinity choline transporter 0.0436 0.2428 0.2398
Schistosoma mansoni alpha-glucosidase 0.0169 0.0841 0.0804
Schistosoma mansoni hypothetical protein 0.0164 0.0808 0.077
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0149 0.0721 0.4214
Brugia malayi latrophilin 2 splice variant baaae 0.0138 0.0654 0.1299
Loa Loa (eye worm) hypothetical protein 0.0053 0.0152 0.0235
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0053 0.0152 0.0661
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.2045 0.4247
Loa Loa (eye worm) inositol-1 0.0073 0.0268 0.0483
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0062 0.0204 0.0164
Brugia malayi RNA binding protein 0.0071 0.0254 0.0453
Echinococcus multilocularis solute carrier family 5 0.171 1 1
Brugia malayi jmjC domain containing protein 0.0202 0.1036 0.2108
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0268 0.1363
Trichomonas vaginalis set domain proteins, putative 0.0943 0.544 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.0545 0.1068
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0053 0.0152 0.0876
Loa Loa (eye worm) hypothetical protein 0.0202 0.1033 0.2103
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0254 0.0215
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0254 0.0215
Echinococcus granulosus PHD finger protein rhinoceros 0.0118 0.0536 0.0497
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0163 0.0805 0.0767
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0202 0.1033 0.2103
Loa Loa (eye worm) TAR-binding protein 0.0071 0.0254 0.0453
Echinococcus multilocularis snurportin 1 0.0372 0.2045 0.2012
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.0214 0.0173
Brugia malayi jmjC domain containing protein 0.0053 0.0152 0.0235
Toxoplasma gondii PHD-finger domain-containing protein 0.0118 0.0536 0.2072
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.009 0.0367 0.3969
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0254 0.0215
Brugia malayi Carboxyl transferase domain containing protein 0.0158 0.0771 0.1549
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0094 0.0169
Schistosoma mansoni inositol monophosphatase 0.0073 0.0268 0.0229
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0119 0.0545 0.0506
Brugia malayi TAR-binding protein 0.0071 0.0254 0.0453
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0094 0.0053
Echinococcus granulosus lysine specific demethylase 6a 0.0053 0.0152 0.0111
Schistosoma mansoni hypothetical protein 0.0164 0.0808 0.077
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0135 0.0094
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0135 0.0095
Brugia malayi MH2 domain containing protein 0.0242 0.1272 0.2609
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.0068 0.0058
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.01 0.0426 0.4758
Echinococcus granulosus dnaJ subfamily B 0.0494 0.2771 0.2741
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0062 0.0204 0.1185
Echinococcus multilocularis jumonji domain containing 1A 0.0053 0.0152 0.0111
Brugia malayi jmjC domain containing protein 0.0053 0.0152 0.0235
Toxoplasma gondii hypothetical protein 0.0051 0.0136 0.0398
Schistosoma mansoni alpha glucosidase 0.0044 0.0094 0.0054
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0119 0.0545 0.0506
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0163 0.0805 0.3201
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0135 0.02
Schistosoma mansoni hypothetical protein 0.0494 0.2771 0.2742
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.0214 0.0173
Schistosoma mansoni acetyl-CoA carboxylase 0.0163 0.0805 0.0768
Schistosoma mansoni alpha-glucosidase 0.0169 0.0841 0.0804
Schistosoma mansoni jumonji domain containing protein 0.0364 0.2 0.1968
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0163 0.0805 0.3201
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0436 0.2428 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0094 0.0169
Echinococcus granulosus histone lysine methyltransferase setb 0.0119 0.0545 0.0505
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0094 0.022
Trichomonas vaginalis inositol monophosphatase, putative 0.0073 0.0268 0.0489
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.0254 0.0453
Brugia malayi AF-10 protein 0.0039 0.0064 0.0049
Brugia malayi Calcitonin receptor-like protein seb-1 0.0202 0.1033 0.2103
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0062 0.0204 0.1185
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.0214 0.0173
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0268 0.1561
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0098 0.0338
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0053 0.0152 0.0461
Echinococcus granulosus jumonji domain containing protein 0.0164 0.0811 0.0773
Echinococcus granulosus solute carrier family 5 0.171 1 1
Echinococcus granulosus geminin 0.0164 0.0808 0.077
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0073 0.0268 0.0489
Toxoplasma gondii PHD-finger domain-containing protein 0.0039 0.0064 0.0093
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0053 0.0152 0.0461
Loa Loa (eye worm) hypothetical protein 0.0041 0.0075 0.0074
Brugia malayi Importin beta-1 subunit 0.0035 0.0041 0.0002
Loa Loa (eye worm) hypothetical protein 0.0218 0.1128 0.2304
Plasmodium vivax glutathione reductase, putative 0.0039 0.0068 0.0523
Echinococcus multilocularis inositol monophosphatase 1 0.0073 0.0268 0.0228
Echinococcus multilocularis GPCR, family 2 0.0064 0.0214 0.0173
Schistosoma mansoni hypothetical protein 0.0064 0.0214 0.0174
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0054 0.0155 0.0898
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0094 0.0169
Loa Loa (eye worm) hypothetical protein 0.0436 0.2428 0.506
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0119 0.0545 0.0506
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0053 0.0152 0.0111
Brugia malayi Pre-SET motif family protein 0.0828 0.476 1
Schistosoma mansoni jumonji domain containing protein 0.0053 0.0152 0.0111
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0094 0.0538
Schistosoma mansoni hypothetical protein 0.0372 0.2045 0.2012
Loa Loa (eye worm) hypothetical protein 0.0064 0.0214 0.0367
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.0071 0.003
Brugia malayi jmjC domain containing protein 0.0444 0.2473 0.5153
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0062 0.0204 0.1813
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0135 0.0095
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0135 0.0094
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0065 0.0223 0.0841
Echinococcus multilocularis tar DNA binding protein 0.0071 0.0254 0.0214
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0094 0.3501
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.0068 0.0523
Mycobacterium tuberculosis Probable oxidoreductase 0.01 0.0426 0.4758
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.0254 0.0453
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.0555 0.5688
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0119 0.0545 0.0506
Trypanosoma brucei glucosidase, putative 0.0044 0.0094 0.0315
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0114 0.0514 0.0475
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0094 0.0169
Toxoplasma gondii thioredoxin reductase 0.0039 0.0068 0.011
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.0071 0.003
Schistosoma mansoni phosphatidylserine receptor 0.0053 0.0152 0.0111
Echinococcus granulosus GPCR family 2 0.0064 0.0214 0.0173
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0094 0.3501
Plasmodium vivax JmjC domain containing protein 0.0053 0.0152 0.2188
Brugia malayi Inositol-1 0.0073 0.0268 0.0483
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.0555 0.5688
Loa Loa (eye worm) hypothetical protein 0.0436 0.2428 0.506
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1004 0.2042
Echinococcus multilocularis sodium:myo inositol cotransporter 0.171 1 1
Schistosoma mansoni inositol monophosphatase 0.0073 0.0268 0.0229
Trypanosoma brucei trypanothione reductase 0.0039 0.0068 0.0158
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0062 0.0204 0.0164
Schistosoma mansoni cpg binding protein 0.0037 0.0052 0.0012
Loa Loa (eye worm) transcription factor SMAD2 0.0242 0.1272 0.2609
Plasmodium vivax SET domain protein, putative 0.0119 0.0545 1
Schistosoma mansoni inositol transporter 0.171 1 1
Toxoplasma gondii pyruvate carboxylase 0.0062 0.0204 0.0682
Schistosoma mansoni jumonji/arid domain-containing protein 0.0202 0.1036 0.0999
Schistosoma mansoni hypothetical protein 0.0039 0.0064 0.0023
Brugia malayi PHD-finger family protein 0.0118 0.0536 0.105
Loa Loa (eye worm) jmjC domain-containing protein 0.0053 0.0152 0.0235
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0073 0.0268 0.0951
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1004 0.2042
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0094 0.0113
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.009 0.0367 0.3969
Loa Loa (eye worm) RNA binding protein 0.0071 0.0254 0.0453
Mycobacterium tuberculosis Probable reductase 0.009 0.0367 0.3969
Loa Loa (eye worm) hypothetical protein 0.0035 0.0041 0.0002
Loa Loa (eye worm) hypothetical protein 0.0118 0.0536 0.105
Loa Loa (eye worm) jmjC domain-containing protein 0.0053 0.0152 0.0235
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1004 0.0967
Schistosoma mansoni pyruvate carboxylase 0.0062 0.0204 0.0164
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0098 0.056
Echinococcus multilocularis PHD finger protein rhinoceros 0.0118 0.0536 0.0497
Mycobacterium tuberculosis Probable dehydrogenase 0.009 0.0367 0.3969
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0098 0.056
Echinococcus multilocularis lysine specific demethylase 5A 0.02 0.1024 0.0986
Plasmodium falciparum phd finger protein, putative 0.0118 0.0536 0.9977
Echinococcus granulosus JmjC domain containing protein 4 0.0053 0.0152 0.0111
Schistosoma mansoni phd/f-box containing protein 0.0053 0.0152 0.0111
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1004 0.0967
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0094 0.0169
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0315 0.1707 1
Brugia malayi Latrophilin receptor protein 2 0.0064 0.0214 0.0367
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0062 0.0204 0.1813
Loa Loa (eye worm) MH2 domain-containing protein 0.0242 0.1272 0.2609
Loa Loa (eye worm) PHD-finger family protein 0.0118 0.0536 0.105
Loa Loa (eye worm) hypothetical protein 0.0053 0.0152 0.0235
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0094 0.0113
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0149 0.0721 0.4078
Echinococcus multilocularis phd:f box containing protein 0.0053 0.0152 0.0111
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0052 0.0141 0.0101
Loa Loa (eye worm) jmjC domain-containing protein 0.0053 0.0152 0.0235
Schistosoma mansoni hypothetical protein 0.0138 0.0654 0.0616
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0094 0.0169
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0436 0.2428 0.2397
Echinococcus granulosus snurportin 1 0.0372 0.2045 0.2012
Toxoplasma gondii aldehyde dehydrogenase 0.0121 0.0555 0.2152
Plasmodium falciparum glutathione reductase 0.0039 0.0068 0.0531
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0078 0.0298 0.0258
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0135 0.0095
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0055 0.0163 0.0122
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0119 0.0545 0.0505
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.009 0.0367 0.7322
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0062 0.0204 0.0164
Brugia malayi F/Y-rich N-terminus family protein 0.0054 0.0153 0.0237
Brugia malayi glutathione reductase 0.0039 0.0068 0.0058
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.0214 0.0173
Echinococcus granulosus inositol monophosphatase 1 0.0073 0.0268 0.0228
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0076 0.0692
Plasmodium falciparum JmjC domain-containing protein, putative 0.0053 0.0152 0.2222
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0039 0.0064 0.0093
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0094 0.0169
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0444 0.2473 0.2441
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0065 0.0223 0.206
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0119 0.0545 0.2108
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0062 0.0204 0.0978
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0118 0.0537 0.9849
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0073 0.0268 0.0489
Loa Loa (eye worm) jmjC domain-containing protein 0.0244 0.1283 0.2633
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0068 0.0384
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0121 0.0555 0.3242
Toxoplasma gondii histone lysine methyltransferase SET1 0.007 0.0251 0.0878
Schistosoma mansoni inositol transporter 0.171 1 1
Entamoeba histolytica hypothetical protein 0.0028 0.0002 0.0085
Echinococcus multilocularis high affinity choline transporter 1 0.0436 0.2428 0.2397
Leishmania major trypanothione reductase 0.0039 0.0068 0.0384
Schistosoma mansoni sodium/solute symporter 0.0436 0.2428 0.2398
Leishmania major hypothetical protein, conserved 0.0053 0.0152 0.0876
Echinococcus granulosus acetyl coenzyme A carboxylase 1 0.0163 0.0805 0.0767
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0039 0.0064 0.0134
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0055 0.0163 0.0122
Schistosoma mansoni cpg binding protein 0.0037 0.0052 0.0012
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0121 0.0555 0.0516
Schistosoma mansoni hypothetical protein 0.0064 0.0214 0.0174
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0062 0.0204 0.0164
Schistosoma mansoni jumonji/arid domain-containing protein 0.0202 0.1036 0.0999
Brugia malayi PHD-finger family protein 0.0041 0.0075 0.0074
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0094 0.0169
Echinococcus multilocularis geminin 0.0164 0.0808 0.077
Chlamydia trachomatis biotin carboxylase 0.0056 0.017 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0315 0.1707 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0149 0.0721 0.4214
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0121 0.0555 0.6469
Echinococcus granulosus peregrin 0.0118 0.0536 0.0497
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0118 0.0537 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0202 0.1033 0.2103
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.2771 0.2741
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0062 0.0204 0.0978
Plasmodium vivax hypothetical protein, conserved 0.0118 0.0536 0.9827
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1004 0.0967
Echinococcus multilocularis jumonji domain containing protein 0.0164 0.0811 0.0773
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0828 0.476 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0118 0.0536 0.0497
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0135 0.0094
Schistosoma mansoni hypothetical protein 0.0064 0.0214 0.0174
Mycobacterium ulcerans hypothetical protein 0.0166 0.0821 1
Echinococcus granulosus tar DNA binding protein 0.0071 0.0254 0.0214
Toxoplasma gondii PHD-finger domain-containing protein 0.0118 0.0536 0.2072
Echinococcus granulosus sodium:glucose cotransporter 2 0.171 1 1
Onchocerca volvulus Alhambra homolog 0.0118 0.0536 0.0918
Brugia malayi GH02984p 0.0436 0.2428 0.506
Echinococcus multilocularis JmjC domain containing protein 4 0.0053 0.0152 0.0111
Echinococcus multilocularis cpg binding protein 0.0037 0.0052 0.0011
Onchocerca volvulus 0.0114 0.0511 0.0871
Trypanosoma brucei acetyl-CoA carboxylase 0.0163 0.0805 0.4586
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0039 0.0064 0.0134
Echinococcus granulosus lysine specific demethylase 5A 0.0202 0.1036 0.0998
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0094 0.0169
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0254 0.0215
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.0555 0.5688
Schistosoma mansoni hypothetical protein 0.0118 0.0536 0.0497
Leishmania major acetyl-CoA carboxylase, putative 0.0163 0.0805 0.4711
Onchocerca volvulus 0.0943 0.544 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.0101 0.0436 0.2541
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.0214 0.0367
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0135 0.0094
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0119 0.0545 0.0505
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.009 0.0367 0.3969
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0254 0.0215
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0041 0.0076 0.0703
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0094 0.0538
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0098 0.056
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.0214 0.0367
Schistosoma mansoni aldehyde dehydrogenase 0.0121 0.0555 0.0516
Loa Loa (eye worm) glutathione reductase 0.0039 0.0068 0.0058
Onchocerca volvulus 0.0119 0.0545 0.0934
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0094 0.0538
Brugia malayi Bromodomain containing protein 0.0118 0.0536 0.105
Echinococcus granulosus sodium:myo inositol cotransporter 0.171 1 1
Echinococcus granulosus jumonji domain containing 1A 0.0053 0.0152 0.0111
Giardia lamblia PHD finger protein 15 0.0118 0.0536 1
Echinococcus multilocularis lysine specific demethylase 6a 0.0053 0.0152 0.0111
Brugia malayi RNA, U transporter 1 0.0099 0.0423 0.0811
Echinococcus multilocularis peregrin 0.0118 0.0536 0.0497
Mycobacterium tuberculosis Conserved hypothetical protein 0.0166 0.0821 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0073 0.0268 0.104
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.01 0.0426 0.4758
Brugia malayi jmjC domain containing protein 0.0053 0.0152 0.0235
Schistosoma mansoni importin beta-1 0.0035 0.0041 0.0001
Echinococcus granulosus phd:f box containing protein 0.0053 0.0152 0.0111
Echinococcus granulosus cpg binding protein 0.0037 0.0052 0.0011
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0053 0.0152 0.0876
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0436 0.2428 0.2397
Loa Loa (eye worm) hypothetical protein 0.0138 0.0654 0.1299
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0135 0.02
Schistosoma mansoni aldehyde dehydrogenase 0.0121 0.0555 0.0516
Plasmodium falciparum thioredoxin reductase 0.0039 0.0068 0.0531
Brugia malayi Pre-SET motif family protein 0.0119 0.0545 0.1068
Onchocerca volvulus 0.0436 0.2428 0.4423
Brugia malayi Thioredoxin reductase 0.0039 0.0068 0.0058
Echinococcus granulosus high affinity choline transporter 1 0.0436 0.2428 0.2397
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0444 0.2473 0.2441
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0073 0.0268 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0062 0.0204 0.1185
Loa Loa (eye worm) jmjC domain-containing protein 0.0202 0.1036 0.2108
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0158 0.0771 0.1549

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 7.9433 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) 10.4179 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 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

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.

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