Detailed information for compound 1442471

Basic information

Technical information
  • TDR Targets ID: 1442471
  • Name: (4-methylphenyl) 4-morpholin-4-yl-3-nitrobenz oate
  • MW: 342.346 | Formula: C18H18N2O5
  • H donors: 0 H acceptors: 3 LogP: 3.28 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)OC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
  • InChi: 1S/C18H18N2O5/c1-13-2-5-15(6-3-13)25-18(21)14-4-7-16(17(12-14)20(22)23)19-8-10-24-11-9-19/h2-7,12H,8-11H2,1H3
  • InChiKey: VVSPTPJCLSOCOP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4-methylphenyl) 4-morpholino-3-nitro-benzoate
  • 4-morpholino-3-nitrobenzoic acid (4-methylphenyl) ester
  • 4-morpholino-3-nitro-benzoic acid (4-methylphenyl) ester
  • (4-methylphenyl) 4-morpholin-4-yl-3-nitro-benzoate
  • ZINC04846122
  • 4-methylphenyl 4-(4-morpholinyl)-3-nitrobenzoate
  • MLS000576725
  • SMR000197193

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni aldehyde dehydrogenase 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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative 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 aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative 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 mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase 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
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans Mitochondrial 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 Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Proteasome A-type and B-type family protein 0.0401 0.4511 1
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0159 0.1439 0.1369
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0105 0.0748 0.1505
Echinococcus multilocularis subfamily T1A non peptidase ue 0.0053 0.0081 0.0081
Echinococcus granulosus proteasome prosome macropain subunit alpha 0.0053 0.0081 0.0081
Echinococcus multilocularis proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta 0.0053 0.0081 0.0081
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0105 0.0748 0.0672
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0053 0.0081 0.0081
Leishmania major proteasome beta 5 subunit, putative 0.0401 0.4511 1
Loa Loa (eye worm) proteasome subunit beta type 1 0.0159 0.1439 0.3066
Toxoplasma gondii proteasome subunit beta type, putative 0.0401 0.4511 1
Echinococcus granulosus 20S proteasome subunit alpha 6 0.0053 0.0081 0.0081
Trypanosoma cruzi 20S proteasome subunit 0.0105 0.0748 0.1505
Plasmodium vivax proteasome subunit beta type-5, putative 0.0401 0.4511 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0426 0.0426
Echinococcus granulosus subfamily T1A non peptidase ue 0.0053 0.0081 0.0081
Echinococcus granulosus Proteasome subunit alpha beta 0.0053 0.0081 0.0081
Echinococcus multilocularis muscleblind protein 0.018 0.1705 0.1705
Brugia malayi Cytochrome P450 family protein 0.0055 0.0108 0.006
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0401 0.4511 1
Echinococcus multilocularis proteasome subunit alpha type 2 0.0053 0.0081 0.0081
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0108 0.006
Echinococcus multilocularis proteasome (prosome macropain) subunit beta type 0.0053 0.0081 0.0081
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0105 0.0748 0.1505
Giardia lamblia Proteasome subunit beta type 1 0.0159 0.1439 0.3066
Echinococcus granulosus Proteasome subunit alpha type 7 0.0053 0.0081 0.0081
Echinococcus multilocularis Proteasome, subunit alpha beta 0.0053 0.0081 0.0081
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0345 0.0596
Echinococcus multilocularis muscleblind protein 1 0.018 0.1705 0.1705
Echinococcus granulosus proteasome subunit alpha type 6 0.0053 0.0081 0.0081
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0159 0.1439 0.3066
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0159 0.1439 0.3066
Echinococcus granulosus proteasome subunit beta type 6 0.0053 0.0081 0.0081
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0426 0.0779
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0105 0.0748 0.1505
Loa Loa (eye worm) proteasome subunit beta type 2 0.0105 0.0748 0.1505
Giardia lamblia Proteasome subunit beta type 2 0.0105 0.0748 0.1505
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0401 0.4511 1
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0159 0.1439 0.3066
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0345 0.0596
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0345 0.0596
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0105 0.0748 0.1505
Echinococcus multilocularis proteasome subunit alpha type 6 0.0053 0.0081 0.0081
Echinococcus granulosus proteasome prosome macropain subunit beta type 0.0053 0.0081 0.0081
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0426 0.0348
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0401 0.4511 1
Plasmodium vivax proteasome subunit beta type-1, putative 0.0159 0.1439 0.3066
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0401 0.4511 0.4466
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0105 0.0748 0.1505
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0345 0.0596
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0105 0.0748 0.1505
Echinococcus granulosus proteasome subunit beta t family 0.0053 0.0081 0.0081
Echinococcus granulosus proteasome prosome macropain 0.0401 0.4511 0.4511
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0426 0.0426
Plasmodium vivax proteasome subunit beta type-2, putative 0.0105 0.0748 0.1505
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0053 0.0081 0.5
Brugia malayi proteasome subunit beta type 2 0.0105 0.0748 0.1505
Onchocerca volvulus Notchless protein homolog 0.0053 0.0081 0.5
Echinococcus granulosus muscleblind protein 0.018 0.1705 0.1705
Plasmodium falciparum proteasome subunit beta type-5 0.0401 0.4511 1
Echinococcus granulosus proteasome subunit alpha type 2 0.0053 0.0081 0.0081
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0426 0.0779
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0401 0.4511 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0401 0.4511 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0345 0.0266
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0426 0.0779
Brugia malayi proteasome subunit beta type 1 0.0159 0.1439 0.3066
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0105 0.0748 0.0748
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0345 0.0596
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0053 0.0081 0.0081
Echinococcus multilocularis proteasome (prosome macropain) subunit alpha 0.0053 0.0081 0.0081
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0105 0.0748 0.0748
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0426 0.0779
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0345 0.0345
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0401 0.4511 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0426 0.0779
Echinococcus multilocularis 20S proteasome subunit alpha 6 0.0053 0.0081 0.0081
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0159 0.1439 0.3066
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0426 0.0779
Loa Loa (eye worm) hypothetical protein 0.018 0.1705 0.3666
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0159 0.1439 0.1439
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0401 0.4511 1
Mycobacterium ulcerans proteasome PrcB 0.0401 0.4511 1
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0105 0.0748 0.0672
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0401 0.4511 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0401 0.4511 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0345 0.0345
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0159 0.1439 0.3066
Leishmania major proteasome beta 2 subunit, putative 0.0105 0.0748 0.1505
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0053 0.0081 0.0081
Brugia malayi Muscleblind-like protein 0.018 0.1705 0.3666
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0345 0.0266
Echinococcus multilocularis proteasome subunit beta type 7 0.0053 0.0081 0.0081
Echinococcus multilocularis proteasome subunit beta type 6 0.0053 0.0081 0.0081
Echinococcus multilocularis proteasome (prosome, macropain) 0.0401 0.4511 0.4511
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0345 0.0596
Trypanosoma brucei proteasome beta 6 subunit 0.0159 0.1439 0.3066
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0426 0.0779
Loa Loa (eye worm) hypothetical protein 0.018 0.1705 0.3666
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0159 0.1439 0.1439
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0159 0.1439 0.3066
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0159 0.1439 0.3066
Echinococcus granulosus proteasome subunit beta type 7 0.0053 0.0081 0.0081
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0105 0.0748 0.1505

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 14.12537545 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 19.95262315 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 7.0795 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 (binding) = 10 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) 11.6891 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) 19.9526 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (binding) = 39.8107 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) = 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) 39.8107 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

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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