Detailed information for compound 1325900

Basic information

Technical information
  • TDR Targets ID: 1325900
  • Name: 4-[(2,3-dihydro-1,4-benzodioxin-2-ylmethylami no)methyl]phenol
  • MW: 271.311 | Formula: C16H17NO3
  • H donors: 2 H acceptors: 1 LogP: 2.41 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)CNCC1COc2c(O1)cccc2
  • InChi: 1S/C16H17NO3/c18-13-7-5-12(6-8-13)9-17-10-14-11-19-15-3-1-2-4-16(15)20-14/h1-8,14,17-18H,9-11H2
  • InChiKey: WVOHRECPJRMTKM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000550992
  • SMR000145120
  • STOCK2S-16567
  • Oprea1_705069
  • 4-{[(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-methyl}-phenol
  • 4-(2,3-dihydro-1,4-benzodioxin-2-ylmethylazaniumylmethyl)phenolate
  • 4-(2,3-dihydro-1,4-benzodioxin-2-ylmethylammoniomethyl)phenolate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans aldehyde dehydrogenase 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
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative 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 one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], 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 mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 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 japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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
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
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 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0323 1
Brugia malayi Thrombospondin N-terminal -like domain containing protein 0.0023 0.0085 0.0077
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0021 0.0021
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0082 0.0982 0.0982
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0649 0.0756
Schistosoma mansoni phosphatidylserine receptor 0.0028 0.0161 0.0161
Brugia malayi jmjC domain containing protein 0.0028 0.0161 0.0168
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0478 0.0478
Brugia malayi jmjC domain containing protein 0.0028 0.0161 0.0168
Echinococcus multilocularis peregrin 0.0035 0.0268 0.0268
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0018 0 0.5
Onchocerca volvulus 0.0064 0.0713 0.4971
Loa Loa (eye worm) hypothetical protein 0.0028 0.0161 0.0168
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.006 0.0649 0.0756
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0266 0.0266
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.085 0.085
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0158 0.0164
Schistosoma mansoni hypothetical protein 0.0205 0.2854 0.2854
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0268 0.1553
Echinococcus granulosus lysine specific demethylase 5A 0.0107 0.1369 0.1369
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0037 0.0019
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0178 0.2455 0.2455
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.0323 0.0323
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.0323 0.0323
Echinococcus granulosus dnaJ subfamily B 0.0399 0.5817 0.5817
Schistosoma mansoni hypothetical protein 0.0019 0.0021 0.0021
Schistosoma mansoni hypothetical protein 0.0067 0.0747 0.0747
Echinococcus granulosus JmjC domain containing protein 4 0.0028 0.0161 0.0161
Onchocerca volvulus 0.0101 0.1275 1
Echinococcus multilocularis lysine specific demethylase 6a 0.0028 0.0161 0.0161
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0323 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.0158 0.0164
Brugia malayi Bromodomain containing protein 0.0035 0.0268 0.0297
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0649 0.0756
Brugia malayi hypothetical protein 0.0064 0.0713 0.0832
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.085 0.085
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0637 0.0637
Loa Loa (eye worm) hypothetical protein 0.0077 0.0909 0.1067
Echinococcus granulosus jumonji domain containing 1A 0.0028 0.0161 0.0161
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0323 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0268 0.0297
Brugia malayi EGF-like domain containing protein 0.0023 0.0085 0.0077
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.0323 0.0363
Schistosoma mansoni protein phosphatase 2C 0.0028 0.0161 0.0161
Schistosoma mansoni hypothetical protein 0.0035 0.0266 0.0266
Treponema pallidum bacterioferrin (TpF1) 0.0018 0 0.5
Brugia malayi jmjC domain containing protein 0.0028 0.0161 0.0168
Trypanosoma brucei squalene monooxygenase, putative 0.0244 0.345 1
Brugia malayi hypothetical protein 0.0035 0.0266 0.0295
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0268 0.1553
Echinococcus multilocularis neurogenic locus notch protein 0.0023 0.0085 0.0085
Brugia malayi jmjC domain containing protein 0.0028 0.0161 0.0168
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.003 0.0185 0.0185
Brugia malayi PHD-finger family protein 0.0035 0.0268 0.0297
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0082 0.0982 0.0982
Echinococcus granulosus lysine specific demethylase 6a 0.0028 0.0161 0.0161
Schistosoma mansoni jun-related protein 0.0067 0.0747 0.0747
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0323 1
Brugia malayi laminin-like protein K08C7.3 precursor 0.0023 0.0085 0.0077
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0359 0.0406
Loa Loa (eye worm) hypothetical protein 0.0028 0.0161 0.0168
Schistosoma mansoni jumonji/arid domain-containing protein 0.0107 0.1369 0.1369
Onchocerca volvulus Alhambra homolog 0.0035 0.0268 0.0986
Trichomonas vaginalis maltase-glucoamylase, putative 0.0039 0.0323 1
Echinococcus multilocularis phd:f box containing protein 0.0028 0.0161 0.0161
Echinococcus multilocularis geminin 0.0205 0.2854 0.2854
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0021 0.0021
Echinococcus granulosus pikachurin 0.0023 0.0085 0.0085
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.085 0.085
Schistosoma mansoni alpha glucosidase 0.0039 0.0323 0.0323
Echinococcus multilocularis lysine specific demethylase 5A 0.0106 0.1345 0.1345
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0268 0.0268
Leishmania major alpha glucosidase II subunit, putative 0.0039 0.0323 0.0492
Schistosoma mansoni hypothetical protein 0.0205 0.2854 0.2854
Schistosoma mansoni alpha-glucosidase 0.0151 0.2028 0.2028
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.003 0.0185 0.0185
Trypanosoma brucei glucosidase, putative 0.0039 0.0323 0.0492
Schistosoma mansoni hypothetical protein 0.0019 0.0021 0.0021
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.0323 0.2351
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0323 1
Echinococcus granulosus geminin 0.0205 0.2854 0.2854
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0323 0.0492
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0673 0.0784
Loa Loa (eye worm) hypothetical protein 0.0035 0.0268 0.0297
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0028 0.0161 0.0161
Echinococcus multilocularis GPCR, family 2 0.0019 0.0021 0.0021
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.054 0.5505
Schistosoma mansoni hypothetical protein 0.0019 0.0021 0.0021
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0018 0 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0028 0.0161 0.0168
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0673 0.0784
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.085 1
Echinococcus multilocularis jun protein 0.0082 0.0982 0.0982
Schistosoma mansoni hypothetical protein 0.0399 0.5817 0.5817
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0323 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0266 0.0266
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0673 0.0673
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0673 0.0673
Brugia malayi laminin alpha chain 0.0023 0.0085 0.0077
Brugia malayi jmjC domain containing protein 0.0107 0.1369 0.1621
Echinococcus granulosus neurogenic locus notch protein 0.0023 0.0085 0.0085
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0323 1
Loa Loa (eye worm) hypothetical protein 0.0564 0.8337 1
Schistosoma mansoni jumonji domain containing protein 0.0155 0.2093 0.2093
Echinococcus granulosus jun protein 0.0082 0.0982 0.0982
Trichomonas vaginalis sucrase-isomaltase, putative 0.0039 0.0323 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.085 1
Leishmania major squalene monooxygenase-like protein 0.0244 0.345 1
Schistosoma mansoni microtubule-associated protein tau 0.0673 1 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0673 0.0673
Brugia malayi small heat shock protein 0.0564 0.8337 1
Schistosoma mansoni cell polarity protein 0.0023 0.0085 0.0085
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0266 0.0266
Schistosoma mansoni slit 0.0023 0.0085 0.0085
Plasmodium falciparum phd finger protein, putative 0.0035 0.0268 1
Echinococcus granulosus phd:f box containing protein 0.0028 0.0161 0.0161
Giardia lamblia PHD finger protein 15 0.0035 0.0268 0.5
Trypanosoma cruzi squalene monooxygenase, putative 0.0244 0.345 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0178 0.2455 0.2455
Loa Loa (eye worm) abnormal epIthelia family member 0.0023 0.0085 0.0077
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.085 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0085 0.0077
Echinococcus granulosus slit 2 protein 0.0023 0.0085 0.0085
Schistosoma mansoni alpha-glucosidase 0.0151 0.2028 0.2028
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.0323 0.0363
Echinococcus granulosus peregrin 0.0035 0.0268 0.0268
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0021 0.0021
Schistosoma mansoni cpg binding protein 0.003 0.0182 0.0182
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0018 0.0012 0.0012
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0323 1
Echinococcus multilocularis slit 2 protein 0.0023 0.0085 0.0085
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0175 0.24 0.2861
Loa Loa (eye worm) hypothetical protein 0.0041 0.0359 0.0406
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.085 1
Schistosoma mansoni jumonji domain containing protein 0.0028 0.0161 0.0161
Echinococcus multilocularis jumonji domain containing 1A 0.0028 0.0161 0.0161
Trypanosoma cruzi squalene monooxygenase, putative 0.0244 0.345 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0107 0.1369 0.1369
Brugia malayi jmjC domain containing protein 0.0178 0.2455 0.2926
Schistosoma mansoni chondroitin sulfate proteoglycan-related 0.0023 0.0085 0.0085
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0673 0.0673
Echinococcus granulosus lysosomal alpha glucosidase 0.0175 0.24 0.24
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0673 0.0673
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.084 0.0985
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.085 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0085 0.0077
Echinococcus multilocularis JmjC domain containing protein 4 0.0028 0.0161 0.0161
Brugia malayi Glycosyl hydrolases family 31 protein 0.0175 0.24 0.2861
Loa Loa (eye worm) RNA binding protein 0.0062 0.0673 0.0784
Echinococcus multilocularis pikachurin 0.0023 0.0085 0.0085
Echinococcus multilocularis microtubule associated protein 2 0.0673 1 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0947 0.1114
Brugia malayi RNA binding protein 0.0062 0.0673 0.0784
Schistosoma mansoni phd/f-box containing protein 0.0028 0.0161 0.0161
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.085 0.085
Echinococcus multilocularis lysosomal alpha glucosidase 0.0175 0.24 0.24
Echinococcus multilocularis lysosomal alpha glucosidase 0.0175 0.24 0.24
Loa Loa (eye worm) jmjC domain-containing protein 0.0028 0.0161 0.0168
Schistosoma mansoni cpg binding protein 0.003 0.0182 0.0182
Echinococcus multilocularis dnaJ subfamily B 0.0399 0.5817 0.5817
Schistosoma mansoni laminin gamma-3 chain 0.0023 0.0085 0.0085
Loa Loa (eye worm) jmjC domain-containing protein 0.0028 0.0161 0.0168
Schistosoma mansoni hypothetical protein 0.0019 0.0021 0.0021
Echinococcus multilocularis cpg binding protein 0.003 0.0182 0.0182
Brugia malayi TAR-binding protein 0.0062 0.0673 0.0784
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0673 0.0673
Echinococcus granulosus tar DNA binding protein 0.0062 0.0673 0.0673
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0673 0.0784
Schistosoma mansoni hypothetical protein 0.0041 0.0359 0.0359
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0649 0.0756
Echinococcus granulosus cpg binding protein 0.003 0.0182 0.0182
Loa Loa (eye worm) hypothetical protein 0.0023 0.0085 0.0077
Schistosoma mansoni cpg binding protein 0.0028 0.0158 0.0158
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0268 0.0268
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0268 1
Brugia malayi bZIP transcription factor family protein 0.0082 0.0982 0.1155
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0268 0.0268
Loa Loa (eye worm) jmjC domain-containing protein 0.0107 0.1369 0.1621
Schistosoma mansoni hypothetical protein 0.0035 0.0268 0.0268
Echinococcus granulosus GPCR family 2 0.0019 0.0021 0.0021
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0323 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.085 0.2095
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0323 0.0492
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0478 0.0478

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 5.6234 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) 7.9433 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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) 11.6891 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) 14.7157 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) 35.4813 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) 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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