Detailed information for compound 1628039

Basic information

Technical information
  • TDR Targets ID: 1628039
  • Name: N-[(1-prop-2-ynylindol-3-yl)methylideneamino] -2-quinolin-8-yloxyacetamide
  • MW: 382.415 | Formula: C23H18N4O2
  • H donors: 1 H acceptors: 2 LogP: 3.43 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCn1cc(c2c1cccc2)/C=N/NC(=O)COc1cccc2c1nccc2
  • InChi: 1S/C23H18N4O2/c1-2-13-27-15-18(19-9-3-4-10-20(19)27)14-25-26-22(28)16-29-21-11-5-7-17-8-6-12-24-23(17)21/h1,3-12,14-15H,13,16H2,(H,26,28)/b25-14+
  • InChiKey: LONDBUMELLWCNR-AFUMVMLFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(1-prop-2-ynylindol-3-yl)methyleneamino]-2-(8-quinolyloxy)acetamide
  • N-[(1-prop-2-ynyl-3-indolyl)methyleneamino]-2-(8-quinolyloxy)acetamide
  • N-[(1-propargylindol-3-yl)methyleneamino]-2-(8-quinolyloxy)acetamide
  • N-[(1-prop-2-ynylindol-3-yl)methylideneamino]-2-quinolin-8-yloxy-ethanamide
  • (Quinolin-8-yloxy)-acetic acid [1-(1-prop-2-ynyl-1H-indol-3-yl)-meth-(E)-ylidene]-hydrazide
  • MLS000331575
  • SMR000220642
  • STOCK4S-21735

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens aryl hydrocarbon receptor Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 1, group I, member 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens peptidylprolyl cis/trans isomerase, NIMA-interacting 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum IPR001189,Manganese and iron superoxide dismutase,domain-containing Get druggable targets OG5_133500 All targets in OG5_133500
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Neospora caninum peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni aryl hydrocarbon receptor Get druggable targets OG5_133500 All targets in OG5_133500
Leishmania donovani peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii peptidylprolyl isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi aryl hydrocarbon receptor AHR-1 Get druggable targets OG5_133500 All targets in OG5_133500
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aryl hydrocarbon receptor Get druggable targets OG5_133500 All targets in OG5_133500
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133500 All targets in OG5_133500
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133500 All targets in OG5_133500
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania infantum peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma mansoni rotamase Get druggable targets OG5_128367 All targets in OG5_128367
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aryl hydrocarbon receptor Get druggable targets OG5_133500 All targets in OG5_133500
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Onchocerca volvulus Get druggable targets OG5_133500 All targets in OG5_133500
Leishmania mexicana peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Babesia bovis peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma japonicum ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133500 All targets in OG5_133500
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma japonicum ko:K09093 aryl hydrocarbon receptor, putative Get druggable targets OG5_133500 All targets in OG5_133500
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Brugia malayi ecdysteroid receptor nuclear receptor subfamily 1, group I, member 2 434 aa 427 aa 25.1 %
Leishmania major peptidyl-prolyl cis-trans isomerase, putative peptidylprolyl cis/trans isomerase, NIMA-interacting 1 163 aa 133 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major ribokinase, putative 0.0157 0.0338 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.1994 1
Leishmania major DNA polymerase eta, putative 0.0054 0.0086 0.2531
Echinococcus granulosus pseudouridine metabolizing bifunctional protein 0.0157 0.0338 0.1691
Schistosoma mansoni ribokinase 0.0157 0.0338 0.1654
Entamoeba histolytica fructokinase, putative 0.0157 0.0338 1
Schistosoma mansoni DNA polymerase eta 0.0054 0.0086 0.038
Mycobacterium ulcerans fructokinase, PfkB 0.0157 0.0338 1
Echinococcus granulosus expressed protein 0.004 0.0052 0.0253
Echinococcus multilocularis ribokinase 0.0157 0.0338 0.1691
Echinococcus granulosus single minded 2 0.0054 0.0086 0.0426
Leishmania major adenosine kinase-like protein 0.0157 0.0338 1
Entamoeba histolytica kinase, PfkB family 0.0157 0.0338 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.1994 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0159 0.0342 0.1707
Schistosoma mansoni rotamase 0.004 0.0052 0.021
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0569 0.0569
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.001 0.001
Brugia malayi Pre-SET motif family protein 0.0036 0.0042 0.0042
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0042 0.0157
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.1994 1
Trypanosoma cruzi adenosine kinase, putative 0.0157 0.0338 1
Brugia malayi Pre-SET motif family protein 0.0251 0.0569 0.0569
Loa Loa (eye worm) hypothetical protein 0.4102 1 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0042 0.0201
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.001 0.0305
Echinococcus multilocularis dna polymerase eta 0.0054 0.0086 0.0422
Toxoplasma gondii kinase, pfkB family protein 0.0157 0.0338 1
Leishmania major tagatose-6-phosphate kinase-like protein 0.0157 0.0338 1
Loa Loa (eye worm) hypothetical protein 0.0158 0.034 0.034
Trichomonas vaginalis ribokinase, putative 0.0157 0.0338 0.5177
Schistosoma mansoni aryl hydrocarbon receptor 0.0213 0.0475 0.2341
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.001 0.0305
Mycobacterium leprae Probable adenosine kinase adk 0.0157 0.0338 1
Brugia malayi PAS domain containing protein 0.0073 0.0133 0.0133
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0054 0.0086 0.0086
Schistosoma mansoni adenosine kinase 0.0157 0.0338 0.1654
Trypanosoma cruzi adenosine kinase, putative 0.0157 0.0338 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.0338 0.0338
Schistosoma mansoni adenosine kinase 0.0157 0.0338 0.1654
Trichomonas vaginalis ribokinase, putative 0.0157 0.0338 0.5177
Trypanosoma cruzi adenosine kinase, putative 0.0157 0.0338 1
Onchocerca volvulus 0.4102 1 1
Echinococcus multilocularis pseudouridine metabolizing bifunctional protein 0.0157 0.0338 0.1691
Leishmania major tagatose-6-phosphate kinase-like protein 0.0157 0.0338 1
Toxoplasma gondii kinase, pfkB family protein 0.0157 0.0338 1
Leishmania major adenosine kinase, putative 0.0157 0.0338 1
Loa Loa (eye worm) hypothetical protein 0.014 0.0295 0.0295
Brugia malayi Adenosine kinase-like 0.0157 0.0338 0.0338
Trypanosoma cruzi adenosine kinase, putative 0.0157 0.0338 1
Trypanosoma cruzi ribokinase, putative 0.0157 0.0338 1
Onchocerca volvulus Ribokinase homolog 0.0157 0.0338 0.0298
Brugia malayi Ribokinase 0.0157 0.0338 0.0338
Echinococcus multilocularis adenosine kinase 0.0157 0.0338 0.1691
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0038 0.0184
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0019 0 0.5
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0654 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.001 0.0044
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.001 0.0305
Entamoeba histolytica Hypothetical protein T24C12.3, putative 0.0157 0.0338 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0042 0.0157
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0039 0.005 0.1469
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.001 0.0044
Plasmodium vivax SET domain protein, putative 0.0036 0.0042 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0133 0.3075
Loa Loa (eye worm) hypothetical protein 0.0139 0.0293 0.0293
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0133 0.3734
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.004 0.0052 0.0052
Mycobacterium tuberculosis Adenosine kinase 0.0157 0.0338 1
Onchocerca volvulus 0.0055 0.0088 0.0047
Entamoeba histolytica tagatose-6-phosphate kinase, putative 0.0157 0.0338 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0042 0.0201
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0042 0.0201
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0133 0.3734
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.005 0.1469
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.001 0.0305
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.001 0.0158
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0139 0.0293 0.0293
Echinococcus granulosus ribokinase 0.0157 0.0338 0.1691
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.0086 0.0086
Trichomonas vaginalis conserved hypothetical protein 0.0157 0.0338 0.5177
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0039 0.005 0.12
Mycobacterium tuberculosis Ribokinase RbsK 0.0157 0.0338 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0042 0.0157
Echinococcus multilocularis dna polymerase kappa 0.0023 0.001 0.0044
Echinococcus multilocularis aryl hydrocarbon receptor 0.0159 0.0342 0.1707
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0133 0.3734
Trypanosoma brucei adenosine kinase, putative 0.0157 0.0338 1
Trypanosoma brucei ribokinase, putative 0.0157 0.0338 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0133 0.0659
Leishmania major putative PfkB family sugar kinase 0.0157 0.0338 1
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.002 0.0002 0.0002
Toxoplasma gondii peptidylprolyl isomerase 0.0039 0.005 0.0275
Giardia lamblia Ribokinase 0.0157 0.0338 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0133 0.0618
Onchocerca volvulus Putative pyridoxal kinase 0.0157 0.0338 0.0298
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0052 0.0796
Onchocerca volvulus 0.0286 0.0654 0.0615
Onchocerca volvulus 0.0158 0.034 0.03
Trichomonas vaginalis rotamase, putative 0.004 0.0052 0.0796
Echinococcus granulosus dna polymerase eta 0.0054 0.0086 0.0422
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.005 0.1469
Schistosoma mansoni single-minded 0.0073 0.0133 0.0619
Echinococcus granulosus adenosine kinase 0.0157 0.0338 0.1691
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0133 0.0659
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0133 0.0618
Trypanosoma brucei ribokinase, putative 0.0157 0.0338 1
Leishmania major adenosine kinase-like protein 0.0157 0.0338 1
Brugia malayi bHLH-PAS transcription factor 0.0054 0.0086 0.0086
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.001 0.0305
Trichomonas vaginalis ribokinase, putative 0.0157 0.0338 0.5177
Trichomonas vaginalis rotamase, putative 0.0039 0.005 0.076
Loa Loa (eye worm) hypothetical protein 0.0036 0.0042 0.0042
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.001 0.0158
Echinococcus multilocularis geminin 0.0205 0.0454 0.2273
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0039 0.005 0.12
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0042 0.0157
Mycobacterium ulcerans carbohydrate kinase CbhK 0.0157 0.0338 1
Echinococcus multilocularis transfer RNA-Lys 0.0054 0.0086 0.0426
Schistosoma mansoni hypothetical protein 0.0205 0.0454 0.2238
Echinococcus granulosus dna polymerase kappa 0.0023 0.001 0.0044
Mycobacterium ulcerans putative regulatory protein 0.0054 0.0086 0.2317
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0046 0.0161
Mycobacterium tuberculosis 6-phosphofructokinase PfkB (phosphohexokinase) (phosphofructokinase) 0.0157 0.0338 1
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.0086 0.2296
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.0086 0.2531
Schistosoma mansoni hypothetical protein 0.0205 0.0454 0.2238
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0133 0.3925
Leishmania major DNA polymerase kappa, putative 0.0023 0.001 0.0305
Echinococcus multilocularis expressed protein 0.004 0.0052 0.0253
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.004 0.0052 0.0052
Echinococcus granulosus geminin 0.0205 0.0454 0.2273
Loa Loa (eye worm) hypothetical protein 0.0157 0.0338 0.0338
Leishmania major DNA polymerase eta, putative 0.0038 0.0046 0.1368
Entamoeba histolytica ribokinase, putative 0.0157 0.0338 1
Trypanosoma brucei adenosine kinase, putative 0.0157 0.0338 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0133 0.3734
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0046 0.1368

Activities

Activity type Activity value Assay description Source Reference
EC50 (ADMET) > 0.37715 um PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response assay for activators of the Aryl Hydrocarbon Receptor (AHR). (Class of assay: confirmatory) [Related pubchem assays: 2796 (Primary screen (AHR activators in singlicate)), 2845 (Confirmation screen (AHR activators in triplicate)), 434939 (Counterscreen (PXR activators in triplicate)), 2804 (Summary (AHR activators))] ChEMBL. No reference
EC50 (ADMET) = 16.271 um PUBCHEM_BIOASSAY: Luminescence-based counterscreen for activators of the Aryl Hydrocarbon Receptor (AHR): cell-based high throughput dose response screening assay for activators of the Pregnane X Receptor (PXR). (Class of assay: confirmatory) [Related pubchem assays: 2796 (Primary screen (AHR activators in singlicate)), 2845 (Confirmation screen (AHR activators in triplicate)), 434939 (Counterscreen (PXR activators in triplicate)), 2804 (Summary (AHR activators))] ChEMBL. No reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deaminase Inhibitors via a fluorescence-based single-stranded DNA deaminase assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493011, AID493024] ChEMBL. No reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitors via a A3G counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493011, AID493024] ChEMBL. No reference
Potency (functional) 3.1623 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 (binding) = 10 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 10 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) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.0115 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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