Detailed information for compound 1426550

Basic information

Technical information
  • TDR Targets ID: 1426550
  • Name: 3-[(3,4-diethoxyphenyl)methyl]-6,6-dimethyl-5 ,7-dihydro-1,2-benzoxazol-4-one
  • MW: 343.417 | Formula: C20H25NO4
  • H donors: 0 H acceptors: 2 LogP: 3.97 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(ccc1OCC)Cc1noc2c1C(=O)CC(C2)(C)C
  • InChi: 1S/C20H25NO4/c1-5-23-16-8-7-13(10-17(16)24-6-2)9-14-19-15(22)11-20(3,4)12-18(19)25-21-14/h7-8,10H,5-6,9,11-12H2,1-4H3
  • InChiKey: OHSSFPHALMYHDC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(3,4-diethoxybenzyl)-6,6-dimethyl-5,7-dihydroindoxazen-4-one
  • 3-(3,4-diethoxybenzyl)-6,6-dimethyl-6,7-dihydro-1,2-benzisoxazol-4(5H)-one
  • MLS000729061
  • SMR000307339
  • A3518/0149007
  • ZINC01423528

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans 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
Mycobacterium tuberculosis Probable 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
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein 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_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor 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 japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.024 0.2108 0.2086
Giardia lamblia Hypothetical protein 0.107 1 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0683 0.6318 0.6311
Trypanosoma brucei SIR2-like protein 4, putative 0.0218 0.1896 0.1896
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.107 1 1
Echinococcus granulosus GPCR family 2 0.0031 0.012 0.01
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0152 0.0152
Brugia malayi glutaminase DH11.1 0.0269 0.2379 0.2294
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.076 0.0735
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0237 0.0237
Brugia malayi hypothetical protein 0.0043 0.0237 0.0129
Schistosoma mansoni chromatin regulatory protein sir2 0.0218 0.1896 0.1896
Trichomonas vaginalis set domain proteins, putative 0.0273 0.2423 0.0651
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0049 0.0294 0.0274
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0522 0.1424
Loa Loa (eye worm) transcriptional regulator 0.107 1 1
Leishmania major silent information regulator 2, putative 0.107 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.012 0.01
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0218 0.1896 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.076 0.0735
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.012 0.001
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0683 0.6318 0.5457
Loa Loa (eye worm) hypothetical protein 0.0683 0.6318 0.6308
Trichomonas vaginalis glutaminase, putative 0.0269 0.2379 0.0596
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.012 0.01
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0055 0.0348 0.0348
Brugia malayi hypothetical protein 0.0286 0.254 0.2457
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0464 0.0357
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0049 0.0294 0.0274
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0218 0.1896 0.1896
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0683 0.6318 0.5457
Schistosoma mansoni hypothetical protein 0.0031 0.012 0.012
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.0294 0.0812
Schistosoma mansoni chromatin regulatory protein sir2 0.107 1 1
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0218 0.1896 0.1699
Entamoeba histolytica hypothetical protein, conserved 0.0218 0.1896 0.1699
Loa Loa (eye worm) TAR-binding protein 0.0319 0.2861 0.2841
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.107 1 1
Loa Loa (eye worm) transcriptional regulator 0.0218 0.1896 0.1874
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.254 0.2525
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0218 0.1896 0.188
Leishmania major sir2-family protein-like protein 0.0218 0.1896 0.1896
Schistosoma mansoni chromatin regulatory protein sir2 0.0218 0.1896 0.1896
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0522 0.0522
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0218 0.1896 0.1896
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.254 0.2525
Schistosoma mansoni bromodomain containing protein 0.0076 0.0551 0.0551
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0935 0.091
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.107 1 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.254 0.252
Echinococcus granulosus chromatin regulatory protein sir2 0.107 1 1
Schistosoma mansoni tar DNA-binding protein 0.0319 0.2861 0.2861
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0294 0.0294
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.014 0.012
Schistosoma mansoni hypothetical protein 0.0031 0.012 0.012
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.107 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.076 0.0657
Schistosoma mansoni glutaminase 0.0269 0.2379 0.2379
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0237 0.0217
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0522 0.0503
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.002 0.002
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0294 0.0274
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0522 0.212
Plasmodium vivax NAD-dependent deacetylase, putative 0.0218 0.1896 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0237 0.0217
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0049 0.0294 0.0294
Schistosoma mansoni hypothetical protein 0.0031 0.012 0.012
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0055 0.0348 0.0348
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0061 0.0034
Brugia malayi MH2 domain containing protein 0.0117 0.0935 0.0834
Brugia malayi transcriptional regulator, Sir2 family protein 0.0218 0.1896 0.1806
Loa Loa (eye worm) sirtuin 4 0.0218 0.1896 0.1874
Schistosoma mansoni tar DNA-binding protein 0.0319 0.2861 0.2861
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0237 0.0218
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0294 0.0274
Schistosoma mansoni tar DNA-binding protein 0.0319 0.2861 0.2861
Loa Loa (eye worm) hypothetical protein 0.0085 0.0637 0.0611
Toxoplasma gondii histone deacetylase SIR2-like 0.0218 0.1896 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0522 0.0503
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0152 0.0152
Echinococcus granulosus zinc finger protein 0.0024 0.0049 0.0029
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0218 0.1896 0.188
Loa Loa (eye worm) glutaminase 2 0.0269 0.2379 0.2358
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0683 0.6318 0.5457
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0683 0.6318 0.5457
Brugia malayi Latrophilin receptor protein 2 0.0031 0.012 0.001
Schistosoma mansoni chromatin regulatory protein sir2 0.107 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0683 0.6318 0.5457
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0218 0.1896 0.188
Loa Loa (eye worm) hypothetical protein 0.0031 0.012 0.0093
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.051 0.0491
Trypanosoma brucei Silent information regulator 2 related protein 1 0.107 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0152 0.0132
Loa Loa (eye worm) glutaminase 0.0269 0.2379 0.2358
Mycobacterium ulcerans glutaminase 0.0269 0.2379 1
Brugia malayi Bromodomain containing protein 0.0046 0.0264 0.0155
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0218 0.1896 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0218 0.1896 0.188
Schistosoma mansoni chromatin regulatory protein sir2 0.107 1 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0378 0.0378
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.076 0.0657
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0522 0.0522
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0083 0.0083
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.012 0.01
Brugia malayi Pre-SET motif family protein 0.0034 0.0152 0.0042
Brugia malayi TAR-binding protein 0.0319 0.2861 0.2781
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0378 0.0271
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.107 1 1
Brugia malayi RNA binding protein 0.0319 0.2861 0.2781
Echinococcus granulosus tar DNA binding protein 0.0319 0.2861 0.2846
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.012 0.01
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0049 0.0294 0.0294
Brugia malayi RNA recognition motif domain containing protein 0.0319 0.2861 0.2781
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.9137 0.9135
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.107 1 1
Plasmodium vivax hypothetical protein, conserved 0.0218 0.1896 1
Loa Loa (eye worm) transcriptional regulator 0.0218 0.1896 0.1874
Toxoplasma gondii histone deacetylase SIR2 0.0218 0.1896 1
Mycobacterium ulcerans Sir2-like regulatory protein 0.0218 0.1896 0.7401
Loa Loa (eye worm) isocitrate dehydrogenase 0.0049 0.0294 0.0267
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0218 0.1896 0.1896
Echinococcus multilocularis isocitrate dehydrogenase 0.0049 0.0294 0.0274
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.0294 0.0274
Schistosoma mansoni hypothetical protein 0.0043 0.0237 0.0237
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0294 0.0294
Loa Loa (eye worm) hypothetical protein 0.0465 0.4246 0.4231
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0319 0.2861 0.2841
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0083 0.0063
Echinococcus multilocularis chromatin regulatory protein sir2 0.107 1 1
Schistosoma mansoni hypothetical protein 0.0031 0.012 0.012
Brugia malayi Pre-SET motif family protein 0.024 0.2108 0.202
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.051 0.0491
Brugia malayi Bromodomain containing protein 0.0091 0.0686 0.0582
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.107 1 1
Schistosoma mansoni zinc finger protein 0.0024 0.0049 0.0049
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.0294 0.0812
Mycobacterium ulcerans NAD-dependent deacetylase 0.0218 0.1896 0.7401
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0083 0.0063
Echinococcus multilocularis GPCR, family 2 0.0031 0.012 0.01
Brugia malayi transcriptional regulator, Sir2 family protein 0.0218 0.1896 0.1806
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.002 0.002
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0935 0.091
Schistosoma mansoni chromatin regulatory protein sir2 0.0218 0.1896 0.1896
Schistosoma mansoni chromatin regulatory protein sir2 0.0683 0.6318 0.6318
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0522 0.0522
Echinococcus granulosus histone lysine methyltransferase setb 0.0055 0.0348 0.0328
Echinococcus multilocularis zinc finger protein 0.0024 0.0049 0.0029
Schistosoma mansoni tar DNA-binding protein 0.0319 0.2861 0.2861
Schistosoma mansoni hypothetical protein 0.0058 0.0378 0.0378
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0237 0.0218
Schistosoma mansoni hypothetical protein 0.0025 0.0061 0.0061
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0055 0.0348 0.0328
Brugia malayi Isocitrate dehydrogenase 0.0049 0.0294 0.0185
Brugia malayi isocitrate dehydrogenase 0.0049 0.0294 0.0185
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0049 0.0294 0.0812
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0218 0.1896 0.1896
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0218 0.1896 0.1699
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0218 0.1896 1
Echinococcus multilocularis tar DNA binding protein 0.0319 0.2861 0.2846
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0049 0.0294 0.0294
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.012 0.0093
Schistosoma mansoni tar DNA-binding protein 0.0319 0.2861 0.2861
Schistosoma mansoni hypothetical protein 0.0067 0.0464 0.0464
Schistosoma mansoni hypothetical protein 0.0051 0.0308 0.0308
Brugia malayi NAD-dependent deacetylase SIRT1 0.0683 0.6318 0.6277
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0294 0.0294
Loa Loa (eye worm) hypothetical protein 0.0052 0.0314 0.0288
Loa Loa (eye worm) hypothetical protein 0.0067 0.0464 0.0438
Onchocerca volvulus 0.0273 0.2423 1
Onchocerca volvulus 0.0058 0.0378 0.0997
Loa Loa (eye worm) hypothetical protein 0.0046 0.0265 0.0238
Loa Loa (eye worm) hypothetical protein 0.0049 0.0292 0.0266
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.107 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0348 0.0321
Loa Loa (eye worm) RNA binding protein 0.0319 0.2861 0.2841
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0683 0.6318 0.6311

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0037 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) 0.5802 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) 1 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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