Detailed information for compound 1356544

Basic information

Technical information
  • TDR Targets ID: 1356544
  • Name: 6-hydroxy-2-[(Z)-2-(3-methoxy-4-prop-2-enoxyp henyl)ethenyl]-5-nitro-3H-pyrimidin-4-one
  • MW: 345.307 | Formula: C16H15N3O6
  • H donors: 2 H acceptors: 6 LogP: 3.98 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOc1ccc(cc1OC)/C=C\c1nc(O)c(c(n1)O)[N+](=O)[O-]
  • InChi: 1S/C16H15N3O6/c1-3-8-25-11-6-4-10(9-12(11)24-2)5-7-13-17-15(20)14(19(22)23)16(21)18-13/h3-7,9H,1,8H2,2H3,(H2,17,18,20,21)/b7-5-
  • InChiKey: JFZVMBGEIFPVOK-ALCCZGGFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(Z)-2-(4-allyloxy-3-methoxy-phenyl)vinyl]-6-hydroxy-5-nitro-3H-pyrimidin-4-one
  • 2-[(Z)-2-(4-allyloxy-3-methoxyphenyl)vinyl]-6-hydroxy-5-nitro-3H-pyrimidin-4-one
  • 6-hydroxy-2-[(Z)-2-(3-methoxy-4-prop-2-enoxy-phenyl)ethenyl]-5-nitro-3H-pyrimidin-4-one
  • BAS 08860972

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania donovani dullard-like phosphatase domain containing protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus CTD small phosphatase protein like Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum CTD small phosphatase-like protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma congolense TFIIF-stimulated CTD phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium falciparum NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Theileria parva nuclear LIM interactor-interacting factor 1, putative Get druggable targets OG5_127075 All targets in OG5_127075
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Giardia lamblia Nuclear LIM interactor-interacting factor 1 Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K01090 protein phosphatase [EC3.1.3.16], putative Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Toxoplasma gondii Dullard family phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Babesia bovis Dullard-like phosphatase domain containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma congolense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei TFIIF-stimulated CTD phosphatase, putative CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 260 aa 263 aa 27.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0118 0.0717 0.5205
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0162 0.053
Schistosoma mansoni hypothetical protein 0.0049 0.0151 0.0494
Schistosoma mansoni endothelin-converting enzyme-related 0.0046 0.0124 0.0406
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0001 0.0001
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.0162 0.3032
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.1244 1 1
Schistosoma mansoni hypothetical protein 0.0049 0.0151 0.0494
Schistosoma mansoni hypothetical protein 0.0049 0.0151 0.0494
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.019 0.1306 0.1306
Loa Loa (eye worm) hypothetical protein 0.0143 0.0925 0.0924
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0162 0.0161
Loa Loa (eye worm) matrixin family protein 0.0049 0.0145 0.0143
Loa Loa (eye worm) hypothetical protein 0.014 0.0898 0.0897
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0046 0.0124 0.0406
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0001 0.0001
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.018 0.1227 1
Plasmodium vivax prenyltransferase alpha subunit, putative 0.018 0.1227 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0162 0.1234
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.0001 0.0004
Schistosoma mansoni hypothetical protein 0.0049 0.0151 0.0494
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.0001 0.0023
Onchocerca volvulus 0.0031 0.0001 0.0023
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.0001 0.0023
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0062 0.0254 1
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0062 0.0254 0.0254
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0062 0.0254 0.0253
Trypanosoma cruzi protein farnesyltransferase, putative 0.0056 0.0202 0.4293
Toxoplasma gondii hypothetical protein 0.0062 0.0254 0.0807
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0056 0.0202 0.1537
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.018 0.1227 1
Schistosoma mansoni hypothetical protein 0.0049 0.0151 0.0494
Loa Loa (eye worm) hypothetical protein 0.0143 0.0925 0.0924
Loa Loa (eye worm) hypothetical protein 0.014 0.0898 0.0897
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0001 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0001 0.0001
Toxoplasma gondii peptidase family M13 protein 0.019 0.1306 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.008 0.0401 0.3064
Brugia malayi Matrixin family protein 0.0053 0.0181 0.0181
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0056 0.0202 0.0202
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.0001 0.0004
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0062 0.0254 0.008
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0001 0.0001
Mycobacterium ulcerans hypothetical protein 0.0856 0.6798 1
Loa Loa (eye worm) zinc metallopeptidase 4 0.0046 0.0124 0.0123
Onchocerca volvulus 0.0062 0.0254 0.4915
Loa Loa (eye worm) hypothetical protein 0.019 0.1306 0.1305
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0001 0.0001
Brugia malayi peptidase family M13 containing protein 0.0046 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.014 0.0898 0.0897
Loa Loa (eye worm) hypothetical protein 0.0143 0.0925 0.0924
Echinococcus multilocularis endothelin converting enzyme 1 0.019 0.1306 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0856 0.6798 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.0925 0.0924
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0162 0.1234
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0062 0.0254 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0046 0.0124 0.0406
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0254 1
Trypanosoma brucei lanosterol synthase 0.0061 0.0246 0.9117
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0062 0.0254 1
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0062 0.0254 0.1941
Loa Loa (eye worm) hypothetical protein 0.018 0.1227 0.1226
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0049 0.0151 0.0494
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.0001 0.0004
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0046 0.0124 0.0406
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0046 0.0124 0.0406
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0056 0.0202 0.1537
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.0162 0.3032
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0056 0.0202 0.0372
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0001 0.0001
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0001 0.0004
Brugia malayi nuclear receptor NHR-88 0.0031 0.0001 0.0001
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.018 0.1227 1
Giardia lamblia Rab geranylgeranyltransferase 0.018 0.1227 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0001 0.0001
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.018 0.1227 0.1555
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0062 0.0254 1
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0162 0.1234
Brugia malayi nuclear hormone receptor 0.0031 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.019 0.1306 0.1305
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.018 0.1227 0.1226
Brugia malayi Peptidase family M13 containing protein 0.019 0.1306 0.1306
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.0001 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.0001 0.0001
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0056 0.0202 0.1081
Mycobacterium leprae conserved hypothetical protein 0.0856 0.6798 1
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0062 0.0254 1
Onchocerca volvulus 0.0094 0.0518 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0096 0.0532 0.1737
Loa Loa (eye worm) peptidase family M13 containing protein 0.014 0.0898 0.0897
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0001 0.0001
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0046 0.0124 0.0406
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0062 0.0254 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0056 0.0202 0.0372
Loa Loa (eye worm) hypothetical protein 0.0143 0.0925 0.0924
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.0001 0.0004
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0056 0.0202 0.0346
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0056 0.0202 0.4293
Schistosoma mansoni neprilysin-2 (M13 family) 0.0096 0.0532 0.1737
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.008 0.0401 0.3064
Schistosoma mansoni neprilysin 0.0049 0.0151 0.0494
Loa Loa (eye worm) matrixin family protein 0.0053 0.0181 0.018
Brugia malayi ecdysteroid receptor 0.0031 0.0001 0.0001
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0001 0.0004
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0056 0.0202 0.0659
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0254 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0162 0.1234
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0001 0.0001
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0062 0.0254 0.1941
Leishmania major farnesyltransferase beta subunit 0.0056 0.0202 0.6023
Mycobacterium tuberculosis Possible exported protein 0.0497 0.384 0.5485
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0056 0.0202 0.0372
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.018 0.1227 0.9397
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0001 0.0001
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0001 0.0004
Onchocerca volvulus Matrix metalloproteinase homolog 0.0049 0.0145 0.2794
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0096 0.0532 0.1737
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.0001 0.0004
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0062 0.0254 0.0513
Trypanosoma cruzi lanosterol synthase, putative 0.0061 0.0246 0.9117
Trypanosoma cruzi protein farnesyltransferase, putative 0.0056 0.0202 0.4293
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0062 0.0254 0.1941
Loa Loa (eye worm) hypothetical protein 0.014 0.0898 0.0897
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0056 0.0202 0.0372
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0062 0.0254 0.0866
Loa Loa (eye worm) peptidase family M13 containing protein 0.014 0.0898 0.0897
Brugia malayi POT family protein 0.0123 0.0754 0.0754
Mycobacterium tuberculosis Conserved protein 0.0856 0.6798 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.019 0.1306 0.4265
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0056 0.0202 0.0372
Trypanosoma cruzi lanosterol synthase, putative 0.0061 0.0246 0.9117
Schistosoma mansoni hypothetical protein 0.0049 0.0151 0.0494
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.018 0.1227 1
Brugia malayi MAP kinase sur-1 0.0051 0.0162 0.0162
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.0001 0.0023
Loa Loa (eye worm) hypothetical protein 0.019 0.1306 0.1305
Brugia malayi steroid hormone receptor 0.0031 0.0001 0.0001
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0062 0.0254 0.1941
Loa Loa (eye worm) hypothetical protein 0.0143 0.0925 0.0924
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0062 0.0254 0.1539
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0403 0.3062 1
Trypanosoma brucei hypothetical protein, conserved 0.0062 0.0254 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0001 0.0001
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.018 0.1227 0.9397
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.018 0.1227 0.4008
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0096 0.0532 0.1737
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0001 0.0001
Loa Loa (eye worm) POT family protein 0.0123 0.0754 0.0753
Onchocerca volvulus Matrilysin homolog 0.0049 0.0145 0.2794
Giardia lamblia Rab geranylgeranyltransferase 0.0062 0.0254 0.0866
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0001 0.0004
Toxoplasma gondii hypothetical protein 0.0118 0.0717 0.4847
Schistosoma mansoni coup transcription factor 0.0031 0.0001 0.0004
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0056 0.0202 0.0201
Echinococcus granulosus endothelin converting enzyme 1 0.019 0.1306 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.0001 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0001 0.0001
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.019 0.1306 0.1617
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0056 0.0202 0.0372
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0062 0.0254 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.0518 0.0517
Mycobacterium ulcerans hypothetical protein 0.0856 0.6798 1
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.018 0.1227 0.1227
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0062 0.0254 0.0831
Entamoeba histolytica hypothetical protein, conserved 0.0856 0.6798 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.0001 0.0004
Giardia lamblia Prenyltransferase 0.0056 0.0202 0.0372
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0096 0.0532 0.1737
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0001 0.0001

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 13.657 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493091, AID493120] ChEMBL. No reference
Potency (functional) 16.5113 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 79.4328 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 of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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.
 
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External resources for this compound

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