Detailed information for compound 1233548

Basic information

Technical information
  • TDR Targets ID: 1233548
  • Name: 4-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin- 1-yl]methyl]-7-hydroxychromen-2-one
  • MW: 410.463 | Formula: C23H26N2O5
  • H donors: 1 H acceptors: 2 LogP: 2.19 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1CN1CCN(CC1)Cc1cc(=O)oc2c1ccc(c2)O)OC
  • InChi: 1S/C23H26N2O5/c1-28-19-4-6-21(29-2)17(11-19)15-25-9-7-24(8-10-25)14-16-12-23(27)30-22-13-18(26)3-5-20(16)22/h3-6,11-13,26H,7-10,14-15H2,1-2H3
  • InChiKey: VQGRKCJXWNBRMZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-7-hydroxy-chromen-2-one
  • 4-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]methyl]-7-hydroxy-2-chromenone
  • 4-[[4-(2,5-dimethoxybenzyl)piperazin-1-yl]methyl]-7-hydroxy-coumarin
  • T5394258

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0972 0.9514 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0172 0.0572
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0172 0.0572
Echinococcus granulosus GPCR family 2 0.0016 0.009 0.0219
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0172 0.0181
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0552 0.283
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0229 0.2235
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0205 0.1951 0.6493
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3005 0.3005
Brugia malayi hypothetical protein 0.003 0.0229 0.0761
Echinococcus granulosus cpg binding protein 0.0032 0.024 0.0582
Schistosoma mansoni cpg binding protein 0.003 0.0223 0.0541
Schistosoma mansoni carbonic anhydrase 0.0111 0.1024 0.2479
Loa Loa (eye worm) hypothetical protein 0.0035 0.0278 0.0927
Trichomonas vaginalis conserved hypothetical protein 0.1021 1 1
Schistosoma mansoni carbonic anhydrase-related 0.0111 0.1024 0.2479
Loa Loa (eye worm) hypothetical protein 0.0111 0.1024 0.3407
Schistosoma mansoni carbonic anhydrase 0.0049 0.0414 0.1003
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0236 0.2253 0.2368
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0063 0.0153
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1947 0.1947
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0229 0.9184
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0101 0.0106
Loa Loa (eye worm) hypothetical protein 0.0111 0.1024 0.3407
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.002 0.0024
Leishmania major carbonic anhydrase family protein, putative 0.0049 0.0414 0.2123
Loa Loa (eye worm) hypothetical protein 0.0025 0.0172 0.0572
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0552 0.1337
Onchocerca volvulus 0.003 0.0223 0.1148
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0357 0.0433
Plasmodium vivax sulfate transporter, putative 0.0032 0.0249 1
Leishmania major carbonic anhydrase-like protein 0.0205 0.1951 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0357 0.0865
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0552 0.0552
Schistosoma mansoni hypothetical protein 0.0035 0.0278 0.0674
Entamoeba histolytica hypothetical protein 0.0043 0.0357 0.8621
Loa Loa (eye worm) hypothetical protein 0.0018 0.011 0.0368
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.044 0.1466
Echinococcus multilocularis carbonic anhydrase 0.0111 0.1024 0.124
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.044 0.1466
Brugia malayi hypothetical protein 0.0043 0.0357 0.1188
Brugia malayi CXXC zinc finger family protein 0.003 0.0223 0.0744
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0032 0.0249 0.1277
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0032 0.0249 0.0249
Echinococcus multilocularis carbonic anhydrase 0.0111 0.1024 0.124
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.044 0.1466
Entamoeba histolytica hypothetical protein 0.0043 0.0357 0.8621
Mycobacterium ulcerans hypothetical protein 0.0025 0.0172 0.0172
Schistosoma mansoni hypothetical protein 0.0016 0.009 0.0219
Entamoeba histolytica hypothetical protein 0.0043 0.0357 0.8621
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0223 0.0744
Loa Loa (eye worm) hypothetical protein 0.0018 0.011 0.0368
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0111 0.1024 0.3407
Schistosoma mansoni hypothetical protein 0.0016 0.009 0.0219
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0032 0.0249 0.2433
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0172 0.4152
Loa Loa (eye worm) hypothetical protein 0.0025 0.0172 0.0572
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0229 0.2235
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0172 0.0172
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.009 0.0219
Echinococcus granulosus carbonic anhydrase II 0.0205 0.1951 0.4725
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0101 0.0106
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0844 0.8256 1
Onchocerca volvulus 0.0025 0.0172 0.0883
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.009 0.011
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3005 0.3005
Mycobacterium leprae Probable transmembrane transport protein 0.0236 0.2253 1
Trichomonas vaginalis conserved hypothetical protein 0.1021 1 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.011 0.0116
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0172 0.0172
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0172 0.0172
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.011 0.4433
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0111 0.1024 0.3407
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1947 0.1947
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3005 0.3005
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0172 0.0172
Schistosoma mansoni hypothetical protein 0.0014 0.0063 0.0153
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1947 0.1947
Echinococcus multilocularis cpg binding protein 0.0032 0.024 0.0291
Loa Loa (eye worm) carbonic anhydrase 3 0.0205 0.1951 0.6493
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0229 0.1173
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0172 0.0882
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0111 0.1024 0.3407
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0032 0.0249 0.2433
Schistosoma mansoni hypothetical protein 0.0426 0.4129 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0172 0.0882
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0172 0.0882
Loa Loa (eye worm) hypothetical protein 0.0018 0.011 0.0368
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0002 0.0004
Loa Loa (eye worm) hypothetical protein 0.0018 0.011 0.0368
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0552 0.1337
Echinococcus multilocularis dnaJ subfamily B 0.0426 0.4129 0.5001
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1947 0.1947
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0049 0.0414 0.1838
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0487 0.476
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0063 0.0077
Schistosoma mansoni carbonic anhydrase-related 0.0111 0.1024 0.2479
Loa Loa (eye worm) hypothetical protein 0.0052 0.044 0.1466
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0552 0.0669
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1947 0.1947
Entamoeba histolytica carbonic anhydrase, putative 0.0049 0.0414 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0172 0.0763
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0285 0.2739 0.2879
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.011 0.1079
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0229 0.1173
Echinococcus granulosus carbonic anhydrase 0.0111 0.1024 0.2479
Loa Loa (eye worm) histone methyltransferase 0.0009 0.002 0.0066
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0101 0.0106
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0032 0.0249 0.1277
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0554 0.1342
Schistosoma mansoni carbonic anhydrase-related 0.0111 0.1024 0.2479
Plasmodium falciparum carbonic anhydrase 0.0111 0.1024 1
Schistosoma mansoni hypothetical protein 0.0043 0.0357 0.0865
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0172 0.4152
Schistosoma mansoni hypothetical protein 0.0111 0.1024 0.2479
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0552 0.1337
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0111 0.1024 0.3407
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0552 0.058
Mycobacterium ulcerans carbonic anhydrase 0.0049 0.0414 0.0414
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0552 0.0552
Trypanosoma brucei carbonic anhydrase-like protein 0.0205 0.1951 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0205 0.1951 1
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2056 0.2056
Echinococcus granulosus dnaJ subfamily B 0.0426 0.4129 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0172 0.0181
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0002 0.0002
Echinococcus granulosus carbonic anhydrase 0.0111 0.1024 0.2479
Entamoeba histolytica hypothetical protein 0.0043 0.0357 0.8621
Loa Loa (eye worm) hypothetical protein 0.0016 0.009 0.0301
Chlamydia trachomatis sulfate transporter 0.0032 0.0249 1
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2056 0.2056
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0019 0.0062
Echinococcus granulosus carbonic anhydrase 0.0111 0.1024 0.2479
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.1947 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0205 0.1951 0.6493
Schistosoma mansoni hypothetical protein 0.0016 0.009 0.0219
Loa Loa (eye worm) hypothetical protein 0.0018 0.011 0.0368
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3005 0.3005
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.3005 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.009 0.0301
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1947 0.1947
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0172 0.0763
Mycobacterium ulcerans integral membrane transporter 0.0032 0.0249 0.0249
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0229 0.1173
Echinococcus multilocularis GPCR, family 2 0.0016 0.009 0.011
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.011 0.011
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0357 0.0865
Loa Loa (eye worm) hypothetical protein 0.003 0.0229 0.0761
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0111 0.1024 0.3407
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0552 0.0552
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0101 0.0106
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0111 0.1024 0.3407
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0172 0.0172
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0229 0.2235
Echinococcus multilocularis carbonic anhydrase 0.0111 0.1024 0.124
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0205 0.1951 1
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0552 0.5393
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0172 0.4152
Brugia malayi hypothetical protein 0.002 0.0122 0.0407
Onchocerca volvulus Putative sulfate transporter 0.0204 0.1941 0.9969
Onchocerca volvulus 0.0204 0.1941 0.9969
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.009 0.011
Schistosoma mansoni cpg binding protein 0.0032 0.024 0.0582
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0002 0.0004
Echinococcus multilocularis carbonic anhydrase II 0.0205 0.1951 0.2363
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0002 0.0004
Schistosoma mansoni hypothetical protein 0.0016 0.009 0.0219
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0002 0.0002
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0172 0.0572
Loa Loa (eye worm) hypothetical protein 0.0025 0.0172 0.0572
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.3005 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.009 0.0219
Schistosoma mansoni cpg binding protein 0.0032 0.024 0.0582
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.009 0.0301
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.009 0.0301
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0032 0.0249 0.0249
Toxoplasma gondii hypothetical protein 0.0111 0.1024 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0111 0.1024 0.3407
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3005 0.3005
Leishmania major hypothetical protein, conserved 0.003 0.0229 0.1173
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0205 0.1951 0.6493
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0205 0.1951 0.4725
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0205 0.1951 0.4725
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1947 0.1947
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0278 0.0927
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.002 0.0048
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.3005 0.3005
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0172 0.0172
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0032 0.0249 0.1277

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.6169 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.6964 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) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 35.4813 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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.
 
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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