Detailed information for compound 1223862

Basic information

Technical information
  • TDR Targets ID: 1223862
  • Name: 3-hydroxy-4-methyl-2-prop-2-enylbenzo[c]isoch romen-6-one
  • MW: 266.291 | Formula: C17H14O3
  • H donors: 1 H acceptors: 2 LogP: 4.12 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCc1cc2c(c(c1O)C)oc(=O)c1c2cccc1
  • InChi: 1S/C17H14O3/c1-3-6-11-9-14-12-7-4-5-8-13(12)17(19)20-16(14)10(2)15(11)18/h3-5,7-9,18H,1,6H2,2H3
  • InChiKey: AEZCSVUXFDTMOY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-allyl-3-hydroxy-4-methyl-benzo[c]isochromen-6-one
  • 2-allyl-3-hydroxy-4-methyl-6-benzo[c]isochromenone
  • 3-hydroxy-4-methyl-2-prop-2-enyl-benzo[c]isochromen-6-one
  • 2-allyl-3-hydroxy-4-methyl-6H-benzo[c]chromen-6-one
  • MLS000690620
  • SMR000298874
  • ZINC00307652

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0185 0.5517
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0123 0.0123
Trypanosoma brucei phosphatidylinositol phosphate kinase alpha 0.0015 0.019 0.182
Loa Loa (eye worm) hypothetical protein 0.005 0.092 0.2536
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0334 0.3432
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0067 0.0067
Entamoeba histolytica phosphatidylinositol-4-phosphate 5-kinase, putative 0.0015 0.019 0.567
Leishmania major DNA polymerase eta, putative 0.0035 0.0614 0.6568
Loa Loa (eye worm) histone methyltransferase 0.0011 0.011 0.0303
Mycobacterium tuberculosis Conserved protein 0.0042 0.074 0.0814
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0123 0.0123
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.074 1
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0028 0.0028
Onchocerca volvulus 0.0011 0.0123 0.0338
Echinococcus granulosus phosphatidylinositol phosphate 5 kinase type III 0.0015 0.019 0.019
Onchocerca volvulus 0.0042 0.074 0.2039
Brugia malayi hypothetical protein 0.0006 0.0013 0.0036
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0334 0.3432
Loa Loa (eye worm) hypothetical protein 0.0011 0.0123 0.0338
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0107 0.0295
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0123 0.0123
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.074 0.0814
Leishmania major phosphatidylinositol-4-phosphate-5-kinase-likep ro tein 0.0015 0.019 0.182
Leishmania major DNA polymerase eta, putative 0.005 0.092 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0123 0.0338
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.011 0.011
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0018 0.0264 0.3546
Loa Loa (eye worm) pip kinase 1 0.0015 0.019 0.0525
Brugia malayi nuclear receptor NHR-88 0.0011 0.0123 0.0338
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0013 0.0036
Loa Loa (eye worm) hypothetical protein 0.0011 0.0123 0.0338
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0123 0.0338
Echinococcus granulosus bloom syndrome protein 0.0027 0.0443 0.0443
Toxoplasma gondii phosphatidylinositol-4-phosphate 5-Kinase 0.0015 0.019 0.1497
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.074 0.074
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0028 0.0176
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0051 0.0000000013646
Mycobacterium tuberculosis Conserved protein 0.0042 0.074 0.0814
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0013 0.0036
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0123 0.0123
Treponema pallidum ATP-dependent DNA helicase 0.0006 0.0007 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0197 0.1887
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0067 0.0067
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0123 0.0123
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0013 0.0013
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0123 0.0123
Trypanosoma brucei unspecified product 0.0022 0.0334 0.3432
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0123 0.0123
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0028 0.0236
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0185 0.1762
Echinococcus granulosus cpg binding protein 0.0037 0.0641 0.0641
Echinococcus multilocularis Phosphatidylinositol 4 phosphate 5 kinase type 1 0.0015 0.019 0.019
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase, putative 0.0015 0.019 0.2013
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.074 0.0814
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.074 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0028 0.0077
Entamoeba histolytica recQ family DNA helicase 0.0006 0.0007 0.0133
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0334 0.4301
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0334 0.3432
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0123 0.0123
Leishmania major hypothetical protein, conserved 0.0042 0.074 0.7979
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0183 0.363 0.363
Brugia malayi ecdysteroid receptor 0.0011 0.0123 0.0338
Schistosoma mansoni DNA helicase recq1 0.0011 0.0118 0.0118
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0013 0.0013
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0123 0.0123
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0123 0.0338
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0123 0.0123
Loa Loa (eye worm) hypothetical protein 0.0042 0.074 0.2039
Loa Loa (eye worm) hypothetical protein 0.0042 0.074 0.2039
Onchocerca volvulus 0.0042 0.074 0.2039
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0334 0.0921
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.074 0.8027
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0035 0.0614 0.4946
Echinococcus multilocularis cpg binding protein 0.0037 0.0641 0.0641
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0123 0.0338
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0123 0.0123
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0028 0.0236
Giardia lamblia Phosphatidylinositol-4-phosphate 5-kinase, putative 0.0015 0.019 0.5302
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1235 1
Trichomonas vaginalis DNA helicase recq, putative 0.0014 0.0185 0.1948
Schistosoma mansoni cpg binding protein 0.0037 0.0641 0.0641
Giardia lamblia DINP protein human, muc B family 0.0022 0.0334 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.074 0.2039
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0123 0.0123
Echinococcus granulosus geminin 0.0205 0.4079 0.4079
Loa Loa (eye worm) RecQ helicase 0.0027 0.0443 0.1219
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0123 0.0123
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.074 1
Loa Loa (eye worm) beta-lactamase 0.0042 0.074 0.2039
Loa Loa (eye worm) hypothetical protein 0.0136 0.267 0.7357
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0123 0.0338
Brugia malayi hypothetical protein 0.0006 0.0013 0.0036
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0067 0.0067
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.074 0.0814
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0185 0.1762
Schistosoma mansoni phosphatidylinositol-4-phosphate-5-kinaseputativ e 0.0015 0.019 0.019
Trypanosoma cruzi DNA polymerase eta, putative 0.0035 0.0614 0.6649
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0051 0.0000000013646
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0123 0.0338
Loa Loa (eye worm) hypothetical protein 0.0011 0.0123 0.0338
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.074 0.074
Loa Loa (eye worm) hypothetical protein 0.0006 0.0013 0.0036
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0334 0.3432
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0028 0.0236
Brugia malayi beta-lactamase 0.0042 0.074 0.2039
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0024 0.0376 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0197 0.1887
Echinococcus multilocularis phosphatidylinositol phosphate 5 kinase type III 0.0015 0.019 0.019
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0123 0.0338
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0118 0.0118
Brugia malayi polk-prov protein 0.0007 0.0028 0.0077
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0118 0.091
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0123 0.0338
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0123 0.0123
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0123 0.0338
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase-like, putative 0.0015 0.019 0.2013
Schistosoma mansoni hypothetical protein 0.0205 0.4079 0.4079
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0183 0.363 0.363
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0123 0.0338
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0123 0.0123
Schistosoma mansoni blooms syndrome DNA helicase 0.0006 0.0007 0.0007
Trypanosoma cruzi phosphatidylinositol 4-phosphate 5-kinase alpha, putative 0.0015 0.019 0.2013
Mycobacterium ulcerans hypothetical protein 0.0042 0.074 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0118 0.091
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0334 0.0334
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.074 0.0814
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0334 0.0921
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0185 0.1957
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0051 0.0000000013646
Loa Loa (eye worm) hypothetical protein 0.0011 0.0123 0.0338
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0123 0.0338
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0334 0.0334
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.074 0.0814
Schistosoma mansoni cpg binding protein 0.0035 0.06 0.06
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0123 0.0338
Trypanosoma cruzi phosphatidylinositol (3,5) kinase, putative 0.0015 0.019 0.2013
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.074 1
Brugia malayi Bloom's syndrome protein homolog 0.0027 0.0443 0.1219
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0007 0.0028 0.0176
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0197 0.1887
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0123 0.0338
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0123 0.0338
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0051 0.0000000013646
Toxoplasma gondii ABC1 family protein 0.0042 0.074 0.597
Loa Loa (eye worm) hypothetical protein 0.0006 0.0013 0.0036
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.074 0.074
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0123 0.0123
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0051 0.0000000013646
Brugia malayi FYVE finger-containing phosphoinositide kinase, putative 0.0015 0.019 0.0525
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0334 0.3432
Trypanosoma brucei DNA polymerase eta, putative 0.005 0.092 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.074 1
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0015 0.019 0.019
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.074 0.8027
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0123 0.0338
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.074 1
Trichomonas vaginalis phosphatidylinositol-4-phosphate 5-kinase type II, putative 0.0015 0.019 0.2022
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0183 0.363 0.363
Loa Loa (eye worm) hypothetical protein 0.0011 0.0123 0.0338
Schistosoma mansoni cpg binding protein 0.0037 0.0641 0.0641
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0334 0.3432
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0123 0.0338
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase-like, putative 0.0015 0.019 0.2013
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0123 0.0123
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase type II beta, putative 0.0015 0.019 0.2013
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0118 0.0118
Loa Loa (eye worm) FYVE zinc finger family protein 0.0015 0.019 0.0525
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.011 0.011
Echinococcus granulosus dna polymerase eta 0.005 0.092 0.092
Trichomonas vaginalis DNA helicase recq, putative 0.0027 0.0443 0.5683
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0334 0.3587
Schistosoma mansoni hypothetical protein 0.0494 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.005 0.092 0.2536
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.0118 0.0326
Brugia malayi Pip kinase protein 2 0.0183 0.363 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0123 0.0338
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0123 0.0123
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0123 0.0338
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase, putative 0.0015 0.019 0.2013
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0334 0.0334
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.074 0.7979
Loa Loa (eye worm) hypothetical protein 0.0006 0.0013 0.0036
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0259 0.2058
Mycobacterium tuberculosis Conserved protein 0.0042 0.074 0.0814
Trichomonas vaginalis DNA helicase recq1, putative 0.0027 0.0443 0.5683
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0123 0.0123
Loa Loa (eye worm) hypothetical protein 0.0183 0.363 1
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0183 0.363 0.363
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0334 0.4111
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0265 0.5319 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0123 0.0123
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0334 0.3587
Schistosoma mansoni blooms syndrome DNA helicase 0.0021 0.0326 0.0326
Plasmodium falciparum phosphatidylinositol-4-phosphate 5-kinase 0.0015 0.019 0.4673
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0334 0.0334
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0123 0.0123
Plasmodium vivax DNA repair protein REV1, putative 0.0007 0.0028 0.0353
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0123 0.0123
Plasmodium vivax hypothetical protein, conserved 0.0015 0.019 0.2553
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0334 0.3432
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.074 0.2039
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0123 0.0338
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0123 0.0338
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0118 0.0326
Leishmania major phosphatidylinositol (3,5) kinase, putative 0.0015 0.019 0.182
Loa Loa (eye worm) hypothetical protein 0.0006 0.0013 0.0036
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0067 0.0067
Mycobacterium leprae Probable lipase LipE 0.0042 0.074 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0123 0.0123
Brugia malayi CXXC zinc finger family protein 0.0035 0.06 0.1653
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0013 0.0013
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0123 0.0123
Loa Loa (eye worm) hypothetical protein 0.0011 0.0118 0.0326
Leishmania major phosphatidylinositol-4-phosphate 5-kinase-like, putative 0.0015 0.019 0.182
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0334 0.3432
Leishmania major phosphatidylinositol-4-phosphate 5-kinase-like protein 0.0015 0.019 0.182
Schistosoma mansoni hypothetical protein 0.0205 0.4079 0.4079
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1396 0.1396
Loa Loa (eye worm) hypothetical protein 0.0042 0.074 0.2039
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0123 0.0123
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0123 0.0338
Schistosoma mansoni DNA helicase recq5 0.0011 0.0118 0.0118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0123 0.0338
Giardia lamblia Sgs1 DNA helicase, putative 0.0011 0.0118 0.2945
Onchocerca volvulus 0.0183 0.363 1
Toxoplasma gondii phosphatidylinositol-4-phosphate 5-Kinase 0.0015 0.019 0.1497
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0334 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0123 0.0338
Leishmania major DNA polymerase kappa, putative 0.0022 0.0334 0.3432
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0334 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0334 0.3432
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0123 0.0338
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0051 0.0000000013646
Brugia malayi Pip kinase protein 1 0.0015 0.019 0.0525
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0013 0.0013
Plasmodium vivax phosphatidylinositol-4-phosphate 5-kinase, putative 0.0015 0.019 0.2553
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.074 0.0814
Schistosoma mansoni DNA polymerase eta 0.005 0.092 0.092
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0118 0.0326
Brugia malayi steroid hormone receptor 0.0011 0.0123 0.0338
Entamoeba histolytica phosphoinositide kinase, putative 0.0015 0.019 0.567
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.074 0.074
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.074 1
Trichomonas vaginalis esterase, putative 0.0042 0.074 1
Trypanosoma brucei phosphatidylinositol-4-phosphate 5-kinase, putative 0.0015 0.019 0.182
Loa Loa (eye worm) hypothetical protein 0.0042 0.074 0.2039
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0334 0.3432
Trypanosoma cruzi phosphatidylinositol-4-phosphate 5-kinase, putative 0.0015 0.019 0.2013
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0123 0.0338
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type I 0.0015 0.019 0.019
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0334 0.4301
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0123 0.0338
Onchocerca volvulus 0.0035 0.06 0.1653
Trypanosoma brucei unspecified product 0.0015 0.0197 0.1887
Echinococcus multilocularis dna polymerase eta 0.005 0.092 0.092
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0334 0.3432
Loa Loa (eye worm) hypothetical protein 0.0011 0.0123 0.0338
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0123 0.0123
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0334 0.3432
Plasmodium vivax hypothetical protein, conserved 0.0042 0.074 1
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0015 0.019 0.019
Brugia malayi nuclear hormone receptor 0.0011 0.0123 0.0338
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0123 0.0338
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0334 0.3432
Trichomonas vaginalis phosphatidylinositol-4-phosphate 5-kinase type II, putative 0.0015 0.019 0.2022
Echinococcus granulosus dna polymerase kappa 0.0022 0.0334 0.0334
Echinococcus multilocularis bloom syndrome protein 0.0027 0.0443 0.0443
Schistosoma mansoni coup transcription factor 0.0011 0.0123 0.0123
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0123 0.0123
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0067 0.0067
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0123 0.0123
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0118 0.0118
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0123 0.0123
Trypanosoma brucei unspecified product 0.0015 0.0197 0.1887
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0051 0.0000000013646
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0028 0.0236
Mycobacterium ulcerans beta-lactamase 0.0042 0.074 1
Trypanosoma cruzi DNA polymerase eta, putative 0.005 0.092 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0334 0.3587
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0334 0.0334
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0334 0.4111
Brugia malayi beta-lactamase family protein 0.0042 0.074 0.2039
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.074 0.2039
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.06 0.1653
Toxoplasma gondii phosphatidylinositol-4-phosphate 5-kinase 0.0015 0.019 0.1497
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0051 0.0000000013646
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.074 0.0814
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0118 0.0118
Mycobacterium ulcerans lipase LipD 0.0042 0.074 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.074 0.2039
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0013 0.0036
Loa Loa (eye worm) FYVE finger-containing phosphoinositide kinase 0.0015 0.019 0.0525
Loa Loa (eye worm) pip kinase 2 0.0183 0.363 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0123 0.0338
Echinococcus granulosus Phosphatidylinositol 4 phosphate 5 kinase type 1 0.0015 0.019 0.019
Brugia malayi beta-lactamase family protein 0.0042 0.074 0.2039
Giardia lamblia Hypothetical protein 0.0015 0.019 0.5302
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0334 0.3587
Loa Loa (eye worm) hypothetical protein 0.0006 0.0013 0.0036
Mycobacterium leprae conserved hypothetical protein 0.0042 0.074 0.5
Brugia malayi nuclear receptor RXR 0.0006 0.0013 0.0036
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0011 0.0118 0.2596
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0123 0.0123
Trypanosoma brucei phosphatidylinositol-4-phosphate 5-kinase, putative 0.0015 0.019 0.182
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0123 0.0338
Trypanosoma brucei phosphatidylinositol (3,5) kinase, putative 0.0015 0.019 0.182
Onchocerca volvulus 0.0042 0.074 0.2039
Echinococcus multilocularis geminin 0.0205 0.4079 0.4079

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 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) 7.3078 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 50.1187 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
Saccharomyces cerevisiae 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.