Detailed information for compound 1878866

Basic information

Technical information
  • TDR Targets ID: 1878866
  • Name: 3-amino-4-methylaminochromen-2-one
  • MW: 190.199 | Formula: C10H10N2O2
  • H donors: 2 H acceptors: 1 LogP: 1.14 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNc1c(N)c(=O)oc2c1cccc2
  • InChi: 1S/C10H10N2O2/c1-12-9-6-4-2-3-5-7(6)14-10(13)8(9)11/h2-5,12H,11H2,1H3
  • InChiKey: VUGQMTSDCGZIHF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-Amino-4-methylamino-chromen-2-one
  • 3-amino-4-methylamino-2-chromenone
  • 3-amino-4-methylamino-coumarin
  • 59288-10-7
  • MLS000693658
  • SMR000285414
  • ZINC00254940
  • AH-262/31957064
  • 4-Methylamino-3-aminocoumarin
  • BRN 1640721
  • COUMARIN, 3-AMINO-4-METHYLAMINO-
  • BAS 01052306
  • Oprea1_758034
  • Oprea1_597478

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase 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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase 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 infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor 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
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 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
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
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative 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
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
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 tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
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 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0374 0.5017
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0035 0.0101
Onchocerca volvulus 0.0041 0.0035 0.0101
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0059 0.0177
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0035 0.0042
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0374 0.0374
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.007 0.0342 0.4578
Loa Loa (eye worm) hypothetical protein 0.0039 0.0012 0.0038
Schistosoma mansoni alpha-glucosidase 0.0169 0.1395 0.1651
Onchocerca volvulus 0.0041 0.0035 0.0101
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3345 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0108 0.0746 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0059 0.0177
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0059 0.0059
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1686 0.1686
Onchocerca volvulus 0.0108 0.0746 0.2129
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0035 0.0106
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0374 0.2623
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.035 0.0414
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1427 0.587
Trichomonas vaginalis esterase, putative 0.0041 0.0035 0.0106
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0059 0.0793
Brugia malayi beta-lactamase 0.0041 0.0035 0.0101
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0108 0.0746 0.0883
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0374 0.0443
Brugia malayi hypothetical protein 0.0108 0.0746 0.2129
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0182 0.052
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3345 1
Echinococcus multilocularis aminopeptidase N 0.0368 0.3506 0.3506
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0182 0.0216
Loa Loa (eye worm) hypothetical protein 0.0041 0.0035 0.0114
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0108 0.0746 0.0746
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0182 0.0216
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.035 0.035
Loa Loa (eye worm) beta-lactamase 0.0041 0.0035 0.0114
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0205 0.066
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0038 0 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0374 0.2623
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0108 0.0746 0.0883
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0035 0.0106
Loa Loa (eye worm) hypothetical protein 0.0041 0.0035 0.0114
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0035 0.0106
Onchocerca volvulus 0.0114 0.0804 0.2295
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0059 0.0169
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0035 0.0035
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.035 0.0414
Brugia malayi Peptidase family M1 containing protein 0.0108 0.0746 0.2129
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.035 0.0414
Echinococcus granulosus geminin 0.0205 0.177 0.2094
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0035 0.0106
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0038 0 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0059 0.1581
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0059 0.0191
Brugia malayi beta-lactamase family protein 0.0041 0.0035 0.0101
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3345 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0035 0.0042
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0059 0.0177
Brugia malayi beta-lactamase family protein 0.0041 0.0035 0.0101
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3345 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0108 0.0746 0.0883
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0205 0.0583
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0059 0.0177
Brugia malayi jmjC domain containing protein 0.0071 0.035 0.0998
Schistosoma mansoni jumonji domain containing protein 0.0071 0.035 0.0414
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.3345 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0205 0.066
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.007 0.0342 0.0404
Trypanosoma cruzi aminopeptidase, putative 0.0108 0.0746 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0059 0.0177
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1686 0.5436
Echinococcus multilocularis geminin 0.0205 0.177 0.177
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.3345 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0182 0.0216
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0182 0.0216
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0035 0.0247
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0374 0.2623
Loa Loa (eye worm) hypothetical protein 0.0041 0.0035 0.0114
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0108 0.0746 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0035 0.0114
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0059 0.0177
Loa Loa (eye worm) hypothetical protein 0.0041 0.0035 0.0114
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0108 0.0746 0.0746
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.035 0.0414
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1686 0.1686
Loa Loa (eye worm) hypothetical protein 0.007 0.0342 0.1102
Schistosoma mansoni hypothetical protein 0.0205 0.177 0.2094
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.1427 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.845 0.845
Loa Loa (eye worm) aminopeptidase N 0.0108 0.0746 0.2407
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0108 0.0746 0.2231
Onchocerca volvulus 0.0368 0.3506 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.1395 0.1651
Loa Loa (eye worm) hypothetical protein 0.007 0.0342 0.1102
Trypanosoma brucei Aminopeptidase M1, putative 0.0108 0.0746 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0182 0.0182
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0059 0.0177
Leishmania major hypothetical protein, conserved 0.0041 0.0035 0.0473
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.3345 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0182 0.0182
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3345 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.845 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3345 1
Brugia malayi Peptidase family M1 containing protein 0.0368 0.3506 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0108 0.0746 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0059 0.0793
Mycobacterium ulcerans hypothetical protein 0.0041 0.0035 0.0247
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0035 1
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0059 0.0793
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0012 0.0034
Schistosoma mansoni hypothetical protein 0.0039 0.0012 0.0014
Trypanosoma brucei Aminopeptidase M1, putative 0.0108 0.0746 1
Schistosoma mansoni hypothetical protein 0.0205 0.177 0.2094
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0205 0.0583
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0035 0.0473
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1686 0.1995
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.3345 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3345 1
Loa Loa (eye worm) hypothetical protein 0.033 0.3101 1
Mycobacterium ulcerans lipase LipD 0.0041 0.0035 0.0247
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.007 0.0342 0.0342
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0035 0.0473
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.035 0.035
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0108 0.0746 0.0883
Trypanosoma cruzi Aminopeptidase M1, putative 0.0108 0.0746 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.845 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0035 0.0247
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0374 0.143
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0108 0.0746 0.0883
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0265 0.2406 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0298 0.2759 0.8898
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0108 0.0746 0.2231
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0035 0.0106
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0108 0.0746 0.0746
Loa Loa (eye worm) hypothetical protein 0.026 0.2355 0.7593
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0374 0.0443
Entamoeba histolytica aminopeptidase, putative 0.0108 0.0746 0.2091
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.3345 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0035 0.0114
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0108 0.0746 0.0883
Trypanosoma brucei glucosidase, putative 0.0044 0.0059 0.0793
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0108 0.0746 0.0746
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0108 0.0746 0.0746
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0108 0.0746 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0108 0.0746 0.0746
Toxoplasma gondii ABC1 family protein 0.0041 0.0035 0.0943
Onchocerca volvulus 0.0041 0.0035 0.0101
Echinococcus granulosus aminopeptidase N 0.0368 0.3506 0.4149
Mycobacterium ulcerans beta-lactamase 0.0041 0.0035 0.0247
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0035 0.0042
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0182 0.0588
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0059 0.0177
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.1427 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0374 0.0443
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.035 0.1129
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0035 0.0114
Schistosoma mansoni alpha glucosidase 0.0044 0.0059 0.007
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0035 0.0473
Mycobacterium ulcerans aminopeptidase N PepN 0.0108 0.0746 0.5229
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0182 0.0216
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0374 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0059 0.007
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0059 0.0177
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1686 0.4809
Brugia malayi jmjC domain containing protein 0.0071 0.035 0.0998

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8199 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) = 2.8184 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) 9.285 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 (binding) = 11.2202 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) = 14.0919 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 (functional) 14.7157 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) 16.3535 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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