Detailed information for compound 1373880

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 414.409 | Formula: C21H22N2O7
  • H donors: 3 H acceptors: 4 LogP: 3.57 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)CNC(=O)c1c(O)nc2c(c1O)cc(c(c2)OC)OC
  • InChi: 1S/C21H22N2O7/c1-27-14-6-5-11(7-15(14)28-2)10-22-20(25)18-19(24)12-8-16(29-3)17(30-4)9-13(12)23-21(18)26/h5-9H,10H2,1-4H3,(H,22,25)(H2,23,24,26)
  • InChiKey: XBDMOTHFJHPUAM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit 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
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii histone lysine methyltransferase SET1 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
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
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni mixed-lineage leukemia protein mll 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
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0288 0.0287
Echinococcus multilocularis GPCR, family 2 0.0019 0.0288 0.0287
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Onchocerca volvulus 0.0011 0.0116 0.0245
Loa Loa (eye worm) hypothetical protein 0.0224 0.4479 0.9775
Loa Loa (eye worm) hypothetical protein 0.0011 0.0116 0.0251
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0059 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.183 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.183 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.1164 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0116 0.0251
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0115 0.0248
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0013 0.0013
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.1164 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1403 0.1403
Brugia malayi hypothetical protein 0.0006 0.0013 0.0027
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1129 0.2463
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0013 0.0027
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0013 0.0012
Brugia malayi nuclear receptor NHR-88 0.0011 0.0116 0.0251
Brugia malayi steroid hormone receptor 0.0011 0.0116 0.0251
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0116 0.0115
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0116 0.0116
Schistosoma mansoni coup transcription factor 0.0011 0.0116 0.0116
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0116 0.0251
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.1164 0.4744
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0116 0.0251
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0116 0.0115
Loa Loa (eye worm) hypothetical protein 0.0011 0.0116 0.0251
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0116 0.0116
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0116 0.0251
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0116 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0116 0.0251
Onchocerca volvulus 0.0035 0.0608 0.1291
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1129 0.2463
Loa Loa (eye worm) hypothetical protein 0.0006 0.0013 0.0027
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.183 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0116 0.0116
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.183 1
Brugia malayi nuclear hormone receptor 0.0229 0.4582 1
Schistosoma mansoni hypothetical protein 0.0041 0.074 0.074
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0001 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0116 0.0251
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0235 0.4697 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0116 0.0251
Loa Loa (eye worm) hypothetical protein 0.0006 0.0013 0.0027
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0001 0.0001
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0116 0.0251
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0013 0.0027
Loa Loa (eye worm) hypothetical protein 0.0019 0.0288 0.0626
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0116 0.0116
Brugia malayi nuclear hormone receptor 0.0011 0.0116 0.0251
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0013 0.0027
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0005 0.0001 0.0001
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.183 0.5
Schistosoma mansoni nuclear receptor 0.0005 0.0001 0.0001
Brugia malayi hypothetical protein 0.0006 0.0013 0.0027
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0608 0.1324
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0005 0.0001 0.0001
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.074 0.1613
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0116 0.0251
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.1164 0.1163
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0116 0.0115
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0116 0.0245
Loa Loa (eye worm) hypothetical protein 0.0011 0.0116 0.0251
Loa Loa (eye worm) hypothetical protein 0.0011 0.0116 0.0251
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0116 0.0251
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0116 0.0251
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0074 0.0073
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0074 0.0073
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0074 0.0073
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0059 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0116 0.0115
Loa Loa (eye worm) hypothetical protein 0.0006 0.0013 0.0027
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0116 0.0115
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.183 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.0648 0.0647
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.006 0.1129 0.2463
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0116 0.0251
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0116 0.0116
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0116 0.0116
Schistosoma mansoni cpg binding protein 0.0037 0.0648 0.0648
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.183 0.1829
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0116 0.0116
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0116 0.0115
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0116 0.0115
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0116 0.0251
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0116 0.0116
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0288 0.0287
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0118 0.0117
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0013 0.0012
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0116 0.0251
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0288 0.0287
Schistosoma mansoni hypothetical protein 0.0494 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0288 0.0626
Brugia malayi Probable ClpP-like protease 0.0094 0.183 0.3992
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.183 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0011 0.0116 0.0251
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0116 0.0115
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.183 0.183
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0013 0.0027
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0074 0.0074
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0116 0.0115
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.183 0.1829
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0116 0.0251
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.5
Echinococcus granulosus GPCR family 2 0.0019 0.0288 0.0287
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0116 0.0115
Schistosoma mansoni hypothetical protein 0.0019 0.0288 0.0288
Schistosoma mansoni hypothetical protein 0.0019 0.0288 0.0288
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1242 0.5359
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.1164 0.1163
Brugia malayi nuclear receptor RXR 0.0006 0.0013 0.0027
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.183 1
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0116 0.0251
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0116 0.0251
Loa Loa (eye worm) hypothetical protein 0.0011 0.0116 0.0251
Echinococcus multilocularis cpg binding protein 0.0037 0.0648 0.0647
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0074 0.0073
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.183 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0116 0.0115
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0116 0.0116
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0116 0.0115
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.183 1
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0116 0.0245
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0229 0.4582 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0288 0.0626
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.183 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0118 0.0255
Schistosoma mansoni cpg binding protein 0.0035 0.0608 0.0608
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0116 0.0115
Brugia malayi CXXC zinc finger family protein 0.0035 0.0608 0.1324
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0116 0.0251
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0116 0.0251
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0116 0.0251
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0116 0.0115
Trichomonas vaginalis helicase, putative 0.0008 0.0059 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0288 0.0626
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1129 0.2463
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0116 0.0116
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 0.183 0.3992
Loa Loa (eye worm) hypothetical protein 0.0011 0.0116 0.0251
Schistosoma mansoni nuclear receptor nhr-48 0.0005 0.0001 0.0001
Brugia malayi ecdysteroid receptor 0.0011 0.0116 0.0251
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0116 0.0251
Loa Loa (eye worm) hypothetical protein 0.0006 0.0013 0.0027
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0116 0.0115
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0116 0.0115
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0116 0.0251
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.5
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0116 0.0115
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0116 0.0116
Schistosoma mansoni nuclear receptor 0.0005 0.0001 0.0001
Schistosoma mansoni zinc finger protein 0.0005 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0019 0.0288 0.0288
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0288 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0116 0.0251
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0118 0.0117
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.074 0.1613
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0116 0.0251
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0116 0.0251
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0116 0.0116
Schistosoma mansoni cpg binding protein 0.0037 0.0648 0.0648
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 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) 18.526 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) 89.1251 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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