Detailed information for compound 1235629

Basic information

Technical information
  • TDR Targets ID: 1235629
  • Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2 -yl]methyl 1,2,3,4-tetrahydroacridine-9-carbo xylate
  • MW: 475.493 | Formula: C26H25N3O6
  • H donors: 0 H acceptors: 4 LogP: 4.21 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)c1nnc(o1)COC(=O)c1c2CCCCc2nc2c1cccc2
  • InChi: 1S/C26H25N3O6/c1-31-20-12-15(13-21(32-2)24(20)33-3)25-29-28-22(35-25)14-34-26(30)23-16-8-4-6-10-18(16)27-19-11-7-5-9-17(19)23/h4,6,8,10,12-13H,5,7,9,11,14H2,1-3H3
  • InChiKey: BAMBXXGIEBIGSF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,2,3,4-tetrahydroacridine-9-carboxylic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester
  • T0520-8634
  • MLS000568504
  • SMR000154653

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 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 mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus lamin dm0 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 cruzi cytochrome P450, putative 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
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
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 Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
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
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus cytoplasmic intermediate filament protein 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
Echinococcus multilocularis 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
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
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) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Leishmania braziliensis cytochrome p450-like protein 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
Echinococcus multilocularis lamin 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
Brugia malayi Intermediate filament tail domain containing protein 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
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing 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
Schistosoma japonicum ko:K07611 lamin, putative 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
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni intermediate filament proteins 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 granulosus lamin 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
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 dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi 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
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) cytochrome P450 family protein 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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
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
Loa Loa (eye worm) phosphatidylinositol 3 0.0042 0.0277 0.0518
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0017 0.002 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0535 0.1688
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0111 0.0992 0.3142
Brugia malayi cytochrome P450 0.0017 0.002 0.0052
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0047 0.033 0.1302
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0047 0.033 0.1037
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0257 0.2509 0.4178
Loa Loa (eye worm) phosphatidylinositol 3 0.0106 0.0946 0.1772
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0541 0.1707
Loa Loa (eye worm) cytochrome P450 0.0017 0.002 0.0038
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0303 0.2986 0.9488
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0483 0.1523
Loa Loa (eye worm) phosphatidylinositol kinase 0.0016 0.0004 0.0008
Echinococcus granulosus intermediate filament protein 0.0033 0.0181 0.0295
Schistosoma mansoni intermediate filament proteins 0.0033 0.0181 0.0295
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0257 0.2509 0.797
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0006 0.0002
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.009 0.0775 0.3078
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0042 0.0277 0.1088
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0946 0.2997
Schistosoma mansoni lamin 0.0033 0.0181 0.0295
Echinococcus multilocularis musashi 0.0033 0.0181 0.0177
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0111 0.0992 0.3142
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0047 0.033 0.0544
Brugia malayi CXXC zinc finger family protein 0.0035 0.0203 0.0633
Loa Loa (eye worm) hypothetical protein 0.0257 0.2509 0.47
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0209 0.2006 0.3339
Brugia malayi Cytochrome P450 family protein 0.0028 0.013 0.0401
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0017 0.002 1
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.009 0.0775 0.2453
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0047 0.033 0.1037
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0106 0.0946 0.1571
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0688 0.2176
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0221 0.2133 0.6773
Echinococcus granulosus lamin dm0 0.0033 0.0181 0.0295
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0017 0.002 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0063 0.0498 0.0934
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0017 0.002 0.0052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0277 0.0868
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0017 0.002 1
Toxoplasma gondii FATC domain-containing protein 0.0028 0.0129 0.1365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0482 0.152
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0482 0.152
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0688 0.2176
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0028 0.0129 0.0126
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0047 0.033 0.0544
Giardia lamblia GTOR 0.0106 0.0946 0.6419
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0688 0.2176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0092 0.0799 0.2528
Loa Loa (eye worm) hypothetical protein 0.011 0.0984 0.1844
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0017 0.002 1
Loa Loa (eye worm) hypothetical protein 0.0209 0.2006 0.3758
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0017 0.002 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0042 0.0277 0.0455
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0047 0.033 0.3546
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0028 0.0129 0.0399
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0111 0.0992 0.3142
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0042 0.0277 0.0868
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0483 0.1523
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0017 0.002 1
Onchocerca volvulus 0.0033 0.0181 0.8897
Trichomonas vaginalis PIKK family atypical protein kinase 0.0072 0.0593 0.1873
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0257 0.2509 0.2506
Brugia malayi Cytochrome P450 family protein 0.0028 0.013 0.0401
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0079 0.0666 0.4509
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0028 0.0129 0.0399
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0257 0.2509 0.2506
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0594 0.6 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0047 0.033 0.1037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0688 0.2176
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0028 0.0129 0.0399
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0111 0.0992 0.3142
Onchocerca volvulus 0.0033 0.0181 0.8897
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0017 0.002 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0086 0.074 0.2341
Echinococcus multilocularis serine protein kinase ATM 0.0028 0.0129 0.0126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0129 0.0399
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0087 0.0741 0.2941
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0047 0.033 0.1037
Echinococcus multilocularis 0.0017 0.002 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0946 0.2997
Entamoeba histolytica hypothetical protein 0.0028 0.0129 0.0399
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0042 0.0277 0.1088
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0525 0.5663
Schistosoma mansoni pyruvate dehydrogenase 0.0243 0.2361 0.3931
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0319 0.3147 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0047 0.033 0.1302
Entamoeba histolytica protein kinase rad3, putative 0.0028 0.0129 0.0399
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0483 0.1523
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0106 0.0946 0.2997
Schistosoma mansoni fkbp-rapamycin associated protein 0.0028 0.0129 0.0209
Loa Loa (eye worm) hypothetical protein 0.0028 0.0129 0.0243
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0277 0.0868
Echinococcus granulosus cpg binding protein 0.0037 0.0223 0.0366
Toxoplasma gondii non-specific serine/threonine protein kinase 0.003 0.0151 0.1601
Brugia malayi intermediate filament protein 0.0033 0.0181 0.0563
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0024 0.0045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0086 0.074 0.2341
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.013 0.0401
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0319 0.3147 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0181 0.0339
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0017 0.002 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.013 0.0244
Loa Loa (eye worm) CYP4Cod1 0.0028 0.013 0.0244
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0024 0.0064
Mycobacterium leprae putative cytochrome p450 0.0017 0.002 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0086 0.074 0.2341
Trichomonas vaginalis PIKK family atypical protein kinase 0.0086 0.074 0.2341
Schistosoma mansoni cpg binding protein 0.0037 0.0223 0.0366
Loa Loa (eye worm) hypothetical protein 0.0016 0.0006 0.0012
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0319 0.3147 1
Trypanosoma brucei developmentally regulated phosphoprotein 0.0257 0.2509 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0277 0.0868
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0181 0.0339
Echinococcus multilocularis cpg binding protein 0.0037 0.0223 0.0219
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0277 0.0868
Schistosoma mansoni hypothetical protein 0.0494 0.4966 0.8276
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0277 0.0868
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0028 0.0129 0.0209
Onchocerca volvulus 0.0035 0.0203 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0111 0.0992 0.3942
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0319 0.3147 1
Schistosoma mansoni cpg binding protein 0.0035 0.0203 0.0332
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.009 0.0775 0.8387
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0047 0.033 0.1037
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0106 0.0946 0.376
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0047 0.033 0.0544
Schistosoma mansoni hypothetical protein 0.0017 0.002 0.0027
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0047 0.033 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0042 0.0277 0.0868
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0042 0.0277 0.0868
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0688 0.2176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0688 0.2176
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0055 0.0415 0.1641
Trichomonas vaginalis PIKK family atypical protein kinase 0.0074 0.0614 0.1942
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0047 0.033 0.1037
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0047 0.033 0.0326
Schistosoma mansoni pyruvate dehydrogenase 0.0257 0.2509 0.4178
Schistosoma mansoni cpg binding protein 0.0037 0.0223 0.0366
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0594 0.6 0.5998
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0028 0.0129 0.0399
Loa Loa (eye worm) phosphatidylinositol 3 0.0016 0.0004 0.0008
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0028 0.0129 0.0209
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0129 0.0399
Trichomonas vaginalis PIKK family atypical protein kinase 0.0086 0.074 0.2341
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0017 0.002 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.013 0.0244
Echinococcus multilocularis Zinc finger, PHD finger 0.0047 0.033 0.0326
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0209 0.2006 0.2003
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0203 0.038
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0047 0.033 0.1037
Echinococcus granulosus dnaJ subfamily B 0.0494 0.4966 0.8276
Echinococcus granulosus cytochrome P450 2K1 0.0017 0.002 0.0027
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0111 0.0992 0.3142
Loa Loa (eye worm) hypothetical protein 0.0032 0.0175 0.0327
Brugia malayi Cytochrome P450 family protein 0.0063 0.0498 0.1573
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.013 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0482 0.152
Toxoplasma gondii target of rapamycin (TOR), putative 0.0081 0.0688 0.7438
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0028 0.0129 0.0501
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.013 0.0401
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0047 0.033 0.3546
Loa Loa (eye worm) phosphatidylinositol 3 0.0016 0.0004 0.0008
Leishmania major developmentally regulated phosphoprotein-like protein 0.0257 0.2509 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0209 0.2006 0.6369
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0111 0.0992 0.1647
Echinococcus multilocularis lamin 0.0033 0.0181 0.0177
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0157 0.1471 1
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.009 0.0775 0.3078
Schistosoma mansoni pyruvate dehydrogenase 0.0243 0.2361 0.3931
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0017 0.002 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0541 0.1707
Leishmania major cytochrome p450-like protein 0.0017 0.002 0.0066
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0535 0.1688
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0017 0.002 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0017 0.002 0.0066
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0319 0.3147 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0017 0.002 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0209 0.0653
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0042 0.0277 0.0273
Trypanosoma cruzi target of rapamycin kinase 3 0.0087 0.0741 0.2344
Leishmania major phosphatidylinositol 3-kinase, putative 0.0042 0.0277 0.1088
Schistosoma mansoni lamin 0.0033 0.0181 0.0295
Loa Loa (eye worm) phosphatidylinositol 3 0.0016 0.0004 0.0008
Leishmania major cytochrome p450-like protein 0.0028 0.013 0.0504
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0111 0.0992 0.3142
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0042 0.0277 0.0455
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0017 0.002 1
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0047 0.033 0.1302
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0017 0.002 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0017 0.002 0.0066
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0688 0.2176
Loa Loa (eye worm) phosphatidylinositol 3 0.0095 0.0831 0.1556
Echinococcus multilocularis lamin dm0 0.0033 0.0181 0.0177
Mycobacterium leprae Conserved hypothetical protein 0.0017 0.002 1
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.4966 0.4964
Brugia malayi kinase, mitochondrial precursor 0.0257 0.2509 0.797
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0106 0.0946 0.376
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0047 0.033 1
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0047 0.033 0.0618
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0106 0.0946 0.376
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0594 0.6 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0129 0.0399
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0319 0.3147 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0106 0.0946 0.2997
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0006 0.0004
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0017 0.002 0.0052
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0017 0.002 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0319 0.3147 1
Echinococcus granulosus serine protein kinase ATM 0.0028 0.0129 0.0209
Leishmania major cytochrome p450-like protein 0.0017 0.002 0.0066
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0106 0.0946 0.0942
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0017 0.002 1
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0151 0.0468
Loa Loa (eye worm) hypothetical protein 0.002 0.0048 0.0091
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0106 0.0946 0.1571
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0106 0.0946 0.2997
Trichomonas vaginalis PIKK family atypical protein kinase 0.0067 0.0541 0.1707
Loa Loa (eye worm) phosphatidylinositol 3 0.0016 0.0004 0.0008
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0111 0.0992 0.3142
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0181 0.0563
Loa Loa (eye worm) hypothetical protein 0.003 0.0151 0.0283
Echinococcus granulosus lamin 0.0033 0.0181 0.0295
Schistosoma mansoni cytochrome P450 0.0017 0.002 0.0027
Entamoeba histolytica hypothetical protein 0.0255 0.2486 0.7895
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0606 0.1004
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0145 0.1344 0.4265
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0106 0.0946 0.376
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0483 0.1523
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0017 0.002 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0042 0.0277 0.1088
Toxoplasma gondii cytochrome p450 superfamily protein 0.0017 0.002 0.0179
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0017 0.002 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0181 0.0339
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0017 0.002 0.0052
Brugia malayi Cytochrome P450 family protein 0.0017 0.002 0.0052
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0106 0.0946 0.2997
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0095 0.0831 0.263
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0106 0.0946 0.2997
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0087 0.0741 0.2941
Loa Loa (eye worm) phosphatidylinositol 3 0.053 0.5338 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0275 0.2696 0.8565
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.005 0.0357 0.141
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0017 0.002 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0221 0.2133 0.6773
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0104 0.0923 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0028 0.0129 0.0399
Trypanosoma brucei cytochrome P450, putative 0.0028 0.013 0.0504
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0047 0.033 0.0544
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0255 0.2486 0.7895
Loa Loa (eye worm) hypothetical protein 0.0016 0.0004 0.0008
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0047 0.033 0.1037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0946 0.2997

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) = 1.77827941 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) = 1.995262315 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) = 4.466835922 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
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
Potency (functional) = 0.1122 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.6169 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) = 3.9811 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) 4.1475 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) 5.1735 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] 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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