Detailed information for compound 1436598

Basic information

Technical information
  • TDR Targets ID: 1436598
  • Name: N-(furan-2-ylmethyl)-2-methyl-[1]benzoxolo[2, 3-e]pyrimidin-4-amine
  • MW: 279.293 | Formula: C16H13N3O2
  • H donors: 1 H acceptors: 2 LogP: 3.34 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc(NCc2ccco2)c2c(n1)c1ccccc1o2
  • InChi: 1S/C16H13N3O2/c1-10-18-14-12-6-2-3-7-13(12)21-15(14)16(19-10)17-9-11-5-4-8-20-11/h2-8H,9H2,1H3,(H,17,18,19)
  • InChiKey: WNZRCEWKKLZFBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-furylmethyl)-2-methyl-benzofurano[2,3-e]pyrimidin-4-amine
  • N-(2-furylmethyl)-2-methyl-4-benzofurano[2,3-e]pyrimidinamine
  • 2-furylmethyl-(2-methylbenzofurano[2,3-e]pyrimidin-4-yl)amine
  • MLS000040998
  • SMR000045470
  • ZINC04301721

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein 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
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni fibrocystin l 0.005 0.1109 0.0758
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.1529 0.4744
Echinococcus granulosus geminin 0.0205 0.6439 0.6244
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.005 0.1109 0.1109
Echinococcus multilocularis semaphorin 5B 0.0113 0.3301 0.2933
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.1145 0.0717
Onchocerca volvulus 0.0037 0.0672 0.0174
Onchocerca volvulus Huntingtin homolog 0.0148 0.4489 0.4552
Echinococcus multilocularis exocyst complex component 2 0.005 0.1109 0.0621
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1145 0.0687
Echinococcus multilocularis chromobox protein 1 0.0084 0.2294 0.1871
Brugia malayi Pre-SET motif family protein 0.0036 0.064 0.064
Brugia malayi intermediate filament protein 0.0033 0.052 0.052
Schistosoma mansoni hypothetical protein 0.0205 0.6439 0.7617
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.2648 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.064 0.0154
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.2648 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.3301 0.3301
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1922 0.6701
Schistosoma mansoni hypothetical protein 0.0205 0.6439 0.7617
Echinococcus multilocularis hypothetical protein 0.0113 0.3301 0.2933
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.2648 0.2245
Brugia malayi IPT/TIG domain containing protein 0.005 0.1109 0.1109
Toxoplasma gondii hypothetical protein 0.0033 0.0519 0.0328
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.2648 1
Brugia malayi chromobox protein homolog 3 0.0047 0.1022 0.1022
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.005 0.1109 0.0645
Schistosoma mansoni semaphorin 5-related 0.0113 0.3301 0.3578
Brugia malayi hypothetical protein 0.002 0.0076 0.0076
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.1529 0.1064
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.2648 1
Loa Loa (eye worm) hypothetical protein 0.005 0.1109 0.1109
Echinococcus multilocularis transcription factor collier 0.005 0.1109 0.0621
Trichomonas vaginalis conserved hypothetical protein 0.005 0.1109 0.0645
Schistosoma mansoni plexin 0.0258 0.8291 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.064 0.0126
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0519 0.0328
Schistosoma mansoni hypothetical protein 0.005 0.1109 0.0758
Loa Loa (eye worm) hypothetical protein 0.0033 0.052 0.052
Brugia malayi DNA-binding protein LAG-1 0.005 0.1109 0.1109
Loa Loa (eye worm) hypothetical protein 0.005 0.1109 0.1109
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.005 0.1109 0.0645
Loa Loa (eye worm) hypothetical protein 0.0286 0.9223 0.9223
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.064 0.0154
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8045 0.8045
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.2648 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0258 0.8291 0.8291
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1922 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0594 0.0078
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1403 0.1403
Trichomonas vaginalis conserved hypothetical protein 0.005 0.1109 0.0645
Loa Loa (eye worm) hypothetical protein 0.0047 0.1022 0.1022
Echinococcus granulosus semaphorin 1A 0.0113 0.3301 0.2933
Loa Loa (eye worm) hypothetical protein 0.0148 0.4489 0.4489
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.2294 0.2294
Echinococcus granulosus semaphorin 5B 0.0113 0.3301 0.2933
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1922 1
Brugia malayi Cytochrome P450 family protein 0.0027 0.0325 0.0325
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1022 0.0545
Trichomonas vaginalis conserved hypothetical protein 0.005 0.1109 0.0645
Loa Loa (eye worm) hypothetical protein 0.0037 0.0672 0.0672
Brugia malayi Sema domain containing protein 0.0113 0.3301 0.3301
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.064 0.0126
Loa Loa (eye worm) hypothetical protein 0.0148 0.4489 0.4489
Entamoeba histolytica protein kinase domain containing protein 0.0063 0.1566 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2294 0.2008
Brugia malayi Probable exocyst complex component Sec5 0.005 0.1109 0.1109
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.2648 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0447 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.2648 0.5
Schistosoma mansoni plexin 0.0145 0.439 0.498
Loa Loa (eye worm) hypothetical protein 0.0094 0.2648 0.2648
Loa Loa (eye worm) hypothetical protein 0.0113 0.3301 0.3301
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1022 0.0545
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.064 0.0877
Echinococcus multilocularis geminin 0.0205 0.6439 0.6244
Echinococcus granulosus chromobox protein 1 0.0084 0.2294 0.1871
Brugia malayi hypothetical protein 0.0113 0.3301 0.3301
Loa Loa (eye worm) hypothetical protein 0.0113 0.3301 0.3301
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1922 0.1479
Schistosoma mansoni survival motor neuron protein 0.0058 0.1403 0.1137
Loa Loa (eye worm) hypothetical protein 0.0145 0.439 0.439
Trichomonas vaginalis conserved hypothetical protein 0.005 0.1109 0.0645
Trichomonas vaginalis conserved hypothetical protein 0.005 0.1109 0.0645
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.2648 0.5
Entamoeba histolytica tyrosin kinase, putative 0.0063 0.1566 1
Echinococcus granulosus plexin a4 0.0308 1 1
Brugia malayi Heterochromatin protein 1 0.0084 0.2294 0.2294
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2294 0.2008
Schistosoma mansoni hypothetical protein 0.0113 0.3301 0.3578
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.2648 1
Brugia malayi hypothetical protein 0.0113 0.3301 0.3301
Brugia malayi hypothetical protein 0.0286 0.9223 0.9223
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.2648 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0325 0.0325
Loa Loa (eye worm) hypothetical protein 0.005 0.1109 0.1109
Loa Loa (eye worm) hypothetical protein 0.0036 0.064 0.064
Loa Loa (eye worm) hypothetical protein 0.0113 0.3301 0.3301
Trichomonas vaginalis set domain proteins, putative 0.0286 0.924 1
Brugia malayi hypothetical protein 0.0148 0.4489 0.4489
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.1114 0.0764
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.2648 0.2739
Brugia malayi Probable ClpP-like protease 0.0094 0.2648 0.2648
Onchocerca volvulus 0.0258 0.8291 0.8912
Trichomonas vaginalis conserved hypothetical protein 0.005 0.1109 0.0645
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1922 0.1804
Trichomonas vaginalis conserved hypothetical protein 0.005 0.1109 0.0645
Onchocerca volvulus 0.005 0.1114 0.0681
Schistosoma mansoni hypothetical protein 0.0145 0.439 0.498
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.064 0.0126
Loa Loa (eye worm) hypothetical protein 0.003 0.0447 0.0447
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.1022 0.0576
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.9223 0.918
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.0519 0.0328
Loa Loa (eye worm) sema domain-containing protein 0.0113 0.3301 0.3301
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0447 0.5
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.1529 0.1064
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1922 0.1804
Brugia malayi Plexin repeat family protein 0.0258 0.8291 0.8291
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.2648 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.3301 0.3301
Onchocerca volvulus Huntingtin homolog 0.0148 0.4489 0.4552
Onchocerca volvulus 0.0113 0.3301 0.3189
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.005 0.1109 0.0645
Schistosoma mansoni hypothetical protein 0.0113 0.3301 0.3578
Loa Loa (eye worm) sema domain-containing protein 0.0113 0.3301 0.3301
Schistosoma mansoni chromobox protein 0.0084 0.2294 0.2283
Loa Loa (eye worm) hypothetical protein 0.0032 0.05 0.05
Schistosoma mansoni hypothetical protein 0.0058 0.1403 0.1137
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.005 0.1109 0.0645
Brugia malayi Pre-SET motif family protein 0.0251 0.8045 0.8045
Plasmodium vivax SET domain protein, putative 0.0036 0.064 0.0877
Echinococcus granulosus transcription factor collier 0.005 0.1109 0.0621
Onchocerca volvulus 0.0286 0.924 1
Echinococcus granulosus chromobox protein 1 0.0084 0.2294 0.1871
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.9223 0.918
Loa Loa (eye worm) plexin A 0.0308 1 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.2648 0.2245
Loa Loa (eye worm) intermediate filament protein 0.0033 0.052 0.052
Echinococcus granulosus exocyst complex component 2 0.005 0.1109 0.0621
Echinococcus multilocularis plexin a4 0.0308 1 1
Schistosoma mansoni chromobox protein 0.0084 0.2294 0.2283
Onchocerca volvulus 0.0058 0.1403 0.1013
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1145 0.0687
Echinococcus multilocularis chromobox protein 1 0.0084 0.2294 0.1871
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1922 0.1479
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.064 0.0154
Loa Loa (eye worm) hypothetical protein 0.0113 0.3301 0.3301
Brugia malayi Sema domain containing protein 0.0113 0.3301 0.3301
Brugia malayi hypothetical protein 0.003 0.0447 0.0447
Schistosoma mansoni hypothetical protein 0.005 0.1109 0.0758
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0447 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.005 0.1109 0.0645

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0024 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0037 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) 1.6511 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 7.0795 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
Potency (functional) = 8.9125 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) = 10 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 Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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