Detailed information for compound 1431999

Basic information

Technical information
  • TDR Targets ID: 1431999
  • Name: N-butyl-2-[3-[(4-methoxyphenyl)methyl]-6-morp holin-4-yl-4-oxoquinazolin-2-yl]sulfanylaceta mide
  • MW: 496.622 | Formula: C26H32N4O4S
  • H donors: 1 H acceptors: 2 LogP: 3.63 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNC(=O)CSc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)OC)N1CCOCC1
  • InChi: 1S/C26H32N4O4S/c1-3-4-11-27-24(31)18-35-26-28-23-10-7-20(29-12-14-34-15-13-29)16-22(23)25(32)30(26)17-19-5-8-21(33-2)9-6-19/h5-10,16H,3-4,11-15,17-18H2,1-2H3,(H,27,31)
  • InChiKey: WLKIYWPMIDTZKK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-butyl-2-[3-[(4-methoxyphenyl)methyl]-6-morpholino-4-oxo-quinazolin-2-yl]sulfanyl-acetamide
  • N-butyl-2-[[3-[(4-methoxyphenyl)methyl]-6-morpholino-4-oxo-2-quinazolinyl]thio]acetamide
  • N-butyl-2-[[4-keto-3-(4-methoxybenzyl)-6-morpholino-quinazolin-2-yl]thio]acetamide
  • N-butyl-2-[3-[(4-methoxyphenyl)methyl]-6-morpholin-4-yl-4-oxo-quinazolin-2-yl]sulfanyl-ethanamide
  • MLS000621868
  • N-butyl-2-{[3-(4-methoxybenzyl)-6-morpholin-4-yl-4-oxo-3,4-dihydroquinazolin-2-yl]thio}acetamide
  • SMR000310795

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum epoxide hydrolase 2 0.0031 0.0087 0.0165
Loa Loa (eye worm) hypothetical protein 0.0551 0.5527 1
Toxoplasma gondii phospholipase/carboxylesterase 0.0031 0.0087 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3452 0.6562
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0031 0.0087 1
Entamoeba histolytica hypothetical protein 0.0031 0.0087 0.0165
Plasmodium vivax PST-A protein 0.0031 0.0087 0.0165
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0031 0.0087 0.0165
Leishmania major monoglyceride lipase, putative 0.0526 0.5261 1
Brugia malayi putative amidase 0.0067 0.0458 0.0828
Mycobacterium tuberculosis Possible lysophospholipase 0.0526 0.5261 1
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0067 0.0458 0.087
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0526 0.5261 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0031 0.0087 0.0165
Loa Loa (eye worm) hypothetical protein 0.018 0.1648 0.2983
Loa Loa (eye worm) hypothetical protein 0.0031 0.0087 0.0157
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.3452 0.6562
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3452 0.6562
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0031 0.0087 0.0165
Mycobacterium ulcerans amidase 0.0067 0.0458 0.087
Echinococcus multilocularis abhydrolase domain containing 3 0.0031 0.0087 0.0087
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0087 0.0165
Brugia malayi MGC79044 protein 0.0031 0.0087 0.0157
Trichomonas vaginalis conserved hypothetical protein 0.0526 0.5261 1
Mycobacterium ulcerans hypothetical protein 0.0031 0.0087 0.0165
Entamoeba histolytica ;Alias 0.0031 0.0087 0.0165
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0551 0.5527 0.5527
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0067 0.0458 0.087
Schistosoma mansoni fatty-acid amide hydrolase 0.0551 0.5527 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0551 0.5527 0.5527
Entamoeba histolytica hypothetical protein 0.0031 0.0087 0.0165
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0067 0.0458 1
Plasmodium falciparum esterase, putative 0.0031 0.0087 0.0165
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0087 0.0165
Echinococcus granulosus fatty acid amide hydrolase 1 0.0551 0.5527 1
Mycobacterium ulcerans amidase 0.0067 0.0458 0.087
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0087 0.0165
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0031 0.0087 0.0165
Mycobacterium ulcerans amidase 0.0067 0.0458 0.087
Plasmodium vivax PST-A protein 0.0031 0.0087 0.0165
Plasmodium falciparum prodrug activation and resistance esterase 0.0031 0.0087 0.0165
Trypanosoma cruzi amidase, putative 0.0067 0.0458 0.087
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3452 0.6562
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3452 0.6562
Plasmodium vivax PST-A protein 0.0031 0.0087 0.0165
Toxoplasma gondii peptidase S15, putative 0.0031 0.0087 1
Mycobacterium ulcerans hydrolase 0.0031 0.0087 0.0165
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0087 0.0165
Plasmodium vivax lysophospholipase, putative 0.0031 0.0087 0.0165
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0031 0.0087 0.0165
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0031 0.0087 0.0165
Loa Loa (eye worm) hypothetical protein 0.018 0.1648 0.2983
Plasmodium falciparum lysophospholipase, putative 0.0526 0.5261 1
Brugia malayi Amidase family protein 0.0067 0.0458 0.0828
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0031 0.0087 0.0165
Plasmodium falciparum lysophospholipase, putative 0.0526 0.5261 1
Plasmodium falciparum alpha/beta hydrolase, putative 0.0031 0.0087 0.0165
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.1565 0.2305
Leishmania major Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X 0.0031 0.0087 0.0165
Mycobacterium ulcerans peptide amidase, GatA 0.0067 0.0458 0.087
Schistosoma mansoni amidase 0.0551 0.5527 1
Mycobacterium ulcerans amidase 0.0067 0.0458 0.087
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0067 0.0458 0.087
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3452 0.6562
Plasmodium vivax unspecified product 0.0031 0.0087 0.0165
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0067 0.0458 0.087
Plasmodium vivax unspecified product 0.0031 0.0087 0.0165
Echinococcus granulosus muscleblind protein 0.018 0.1648 0.2983
Brugia malayi amidase 0.0551 0.5527 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.1648 0.1648
Loa Loa (eye worm) hypothetical protein 0.0031 0.0087 0.0157
Plasmodium falciparum alpha/beta hydrolase, putative 0.0031 0.0087 0.0165
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0031 0.0087 0.0157
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0031 0.0087 0.0157
Trypanosoma brucei monoglyceride lipase, putative 0.0526 0.5261 1
Plasmodium falciparum lysophospholipase, putative 0.0526 0.5261 1
Trichomonas vaginalis conserved hypothetical protein 0.0526 0.5261 1
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0087 0.0165
Toxoplasma gondii hypothetical protein 0.0031 0.0087 1
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0067 0.0458 0.087
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1565 0.2975
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0526 0.5261 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0031 0.0087 0.0165
Plasmodium vivax lysophospholipase, putative 0.0031 0.0087 0.0165
Echinococcus granulosus Phospholipase carboxylesterase 0.0031 0.0087 0.0157
Plasmodium vivax lysophospholipase, putative 0.0031 0.0087 0.0165
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0067 0.0458 0.087
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0031 0.0087 0.0165
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0031 0.0087 0.0165
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0526 0.5261 1
Leishmania major hypothetical protein, conserved 0.0031 0.0087 0.0165
Toxoplasma gondii hypothetical protein 0.0031 0.0087 1
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0031 0.0087 0.0165
Echinococcus granulosus fatty acid amide hydrolase 1 0.0551 0.5527 1
Leishmania major hypothetical protein, conserved 0.0031 0.0087 0.0165
Plasmodium vivax PST-A protein 0.0526 0.5261 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0067 0.0458 0.0828
Trypanosoma brucei Serine peptidase, Clan SC, Family S09X 0.0031 0.0087 0.0165
Trypanosoma brucei monoglyceride lipase, putative 0.0526 0.5261 1
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0067 0.0458 0.0458
Plasmodium falciparum exported lipase 2 0.0031 0.0087 0.0165
Plasmodium vivax alpha/beta hydrolase, putative 0.0031 0.0087 0.0165
Echinococcus multilocularis Phospholipase carboxylesterase 0.0031 0.0087 0.0087
Mycobacterium tuberculosis Conserved hypothetical protein 0.0031 0.0087 0.0165
Plasmodium vivax PST-A protein 0.0031 0.0087 0.0165
Plasmodium falciparum alpha/beta hydrolase, putative 0.0031 0.0087 0.0165
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.3452 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0526 0.5261 1
Mycobacterium ulcerans amidase 0.0067 0.0458 0.087
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.3452 0.6562
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0067 0.0458 0.0828
Trypanosoma cruzi serine peptidase, putative 0.0031 0.0087 0.0165
Schistosoma mansoni peptidase 0.0031 0.0087 0.0157
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0031 0.0087 0.0165
Plasmodium vivax PST-A protein 0.0031 0.0087 0.0165
Brugia malayi MGC83647 protein 0.0031 0.0087 0.0157
Echinococcus granulosus abhydrolase domain containing 3 0.0031 0.0087 0.0157
Brugia malayi Muscleblind-like protein 0.018 0.1648 0.2983
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0031 0.0087 1
Toxoplasma gondii hypothetical protein 0.0031 0.0087 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0526 0.5261 1
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0067 0.0458 0.087
Leishmania major hypothetical protein, conserved 0.0067 0.0458 0.087
Plasmodium falciparum BEM46-like protein, putative 0.0031 0.0087 0.0165
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0087 0.0165
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0067 0.0458 0.0828
Plasmodium vivax alpha/beta hydrolase, putative 0.0031 0.0087 0.0165
Giardia lamblia Cgi67 serine protease precursor-like protein 0.0031 0.0087 0.0251
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0067 0.0458 1
Echinococcus granulosus abhydrolase domain containing protein 13 0.0031 0.0087 0.0157
Plasmodium falciparum esterase, putative 0.0526 0.5261 1
Brugia malayi Amidase family protein 0.0067 0.0458 0.0828
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0087 0.0165
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.3452 1
Trypanosoma cruzi amidase, putative 0.0067 0.0458 0.087
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0526 0.5261 1
Trypanosoma cruzi Serine peptidase, Clan SC, Family S09X, putative 0.0031 0.0087 0.0165
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.0031 0.0087 1
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0031 0.0087 0.0165
Loa Loa (eye worm) amidase 0.0067 0.0458 0.0828
Toxoplasma gondii hypothetical protein 0.0031 0.0087 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0526 0.5261 1
Plasmodium falciparum alpha/beta hydrolase, putative 0.0031 0.0087 0.0165
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0526 0.5261 1
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0087 0.0165
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0087 0.0165
Brugia malayi Protein C20orf22 0.0031 0.0087 0.0157
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0526 0.5261 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0087 0.0157
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0031 0.0087 0.0087
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0067 0.0458 0.087
Toxoplasma gondii phospholipase 0.0031 0.0087 1
Plasmodium falciparum alpha/beta-hydrolase, putative 0.0031 0.0087 0.0165
Mycobacterium ulcerans hypothetical protein 0.0526 0.5261 1
Plasmodium falciparum lysophospholipase, putative 0.0031 0.0087 0.0165
Schistosoma mansoni fatty-acid amide hydrolase 0.0067 0.0458 0.0828
Echinococcus multilocularis muscleblind protein 0.018 0.1648 0.1648
Loa Loa (eye worm) amidase 0.0067 0.0458 0.0828
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3452 0.6562
Trypanosoma cruzi monoglyceride lipase, putative 0.0526 0.5261 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3452 0.6562
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0067 0.0458 0.087
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0087 0.0165
Plasmodium falciparum alpha/beta hydrolase fold domain containing protein, putative 0.0031 0.0087 0.0165
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.1565 0.2975
Trypanosoma cruzi serine peptidase, putative 0.0031 0.0087 0.0165
Loa Loa (eye worm) hypothetical protein 0.0031 0.0087 0.0157
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3452 0.6562
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0067 0.0458 0.0458
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0031 0.0087 0.0157
Plasmodium falciparum alpha/beta hydrolase, putative 0.0031 0.0087 0.0165
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0067 0.0458 0.1326
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0087 0.0165
Mycobacterium ulcerans hypothetical protein 0.0031 0.0087 0.0165
Loa Loa (eye worm) hypothetical protein 0.0031 0.0087 0.0157
Mycobacterium ulcerans lysophospholipase 0.0526 0.5261 1
Plasmodium falciparum exported lipase 1 0.0031 0.0087 0.0165
Toxoplasma gondii protein c14orf29, putative 0.0031 0.0087 1
Plasmodium falciparum lysophospholipase, putative 0.0031 0.0087 0.0165
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0031 0.0087 0.0165
Plasmodium falciparum esterase, putative 0.0031 0.0087 0.0165
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0031 0.0087 0.0165
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0087 0.0165
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0031 0.0087 0.0165

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3323 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) = 4.4563 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (binding) 5.6234 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3489 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 23.1093 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) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 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) 29.081 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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