Detailed information for compound 1417689

Basic information

Technical information
  • TDR Targets ID: 1417689
  • Name: 3-(1,3-benzodioxol-5-yl)-2-(2,8-dimethyl3,4,4 a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carb onyl)prop-2-enenitrile
  • MW: 401.458 | Formula: C24H23N3O3
  • H donors: 0 H acceptors: 2 LogP: 3.53 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/C(=C\c1ccc2c(c1)OCO2)/C(=O)N1C2CCN(CC2c2c1ccc(c2)C)C
  • InChi: 1S/C24H23N3O3/c1-15-3-5-20-18(9-15)19-13-26(2)8-7-21(19)27(20)24(28)17(12-25)10-16-4-6-22-23(11-16)30-14-29-22/h3-6,9-11,19,21H,7-8,13-14H2,1-2H3/b17-10+
  • InChiKey: XSEWQIKGZVRHGT-LICLKQGHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-3-(1,3-benzodioxol-5-yl)-2-(2,8-dimethyl3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carbonyl)prop-2-enenitrile
  • (E)-3-(1,3-benzodioxol-5-yl)-2-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-oxomethyl]prop-2-enenitrile
  • 3-(1,3-benzodioxol-5-yl)-2-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-oxomethyl]prop-2-enenitrile
  • 3-(1,3-benzodioxol-5-yl)-2-(2,8-dimethyl3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carbonyl)acrylonitrile
  • (E)-3-(1,3-benzodioxol-5-yl)-2-(2,8-dimethyl3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carbonyl)acrylonitrile
  • 3-(1,3-benzodioxol-5-yl)-2-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)carbonyl]prop-2-enenitrile
  • (E)-3-(1,3-benzodioxol-5-yl)-2-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)carbonyl]prop-2-enenitrile
  • T0508-0586
  • MLS001006723
  • SMR000349712

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0043 0.0246 1
Entamoeba histolytica hypothetical protein, conserved 0.0029 0.0156 0.3009
Entamoeba histolytica hypothetical protein 0.0043 0.0246 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0118 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.0118 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0321 0.061
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0118 1
Leishmania major DNA polymerase eta, putative 0.0023 0.0118 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0118 1
Plasmodium vivax von Willebrand factor A domain-related protein, putative 0.0029 0.0156 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0118 1
Treponema pallidum 76K protein 0.0029 0.0156 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0033 0.1244
Loa Loa (eye worm) CUTiclin-Like family member 0.0029 0.0156 0.0786
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0806 0.5085 0.5085
Brugia malayi von Willebrand factor type A domain containing protein 0.0029 0.0156 0.0786
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0015 0.0029
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.0018
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0072 0.55
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0033 0.0033
Schistosoma mansoni coup transcription factor 0.001 0.0033 0.0063
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0118 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0118 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0321 0.0321
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0118 1
Schistosoma mansoni serine-rich repeat protein 0.0371 0.2326 0.4426
Loa Loa (eye worm) hypothetical protein 0.001 0.0033 0.0168
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0033 0.0033
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0033 0.0033
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0033 0.0033
Brugia malayi nuclear hormone receptor 0.001 0.0033 0.0168
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0118 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0033 0.0168
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0033 0.0168
Loa Loa (eye worm) von Willebrand factor domain-containing protein 0.0029 0.0156 0.0786
Echinococcus granulosus dna polymerase eta 0.0023 0.0118 0.0118
Brugia malayi von Willebrand factor type A domain containing protein 0.0029 0.0156 0.0786
Schistosoma mansoni DNA polymerase eta 0.0023 0.0118 0.0225
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0033 0.0033
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0015 0.0015
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0033 0.0168
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0033 0.0168
Toxoplasma gondii von Willebrand factor type A domain-containing protein 0.0029 0.0156 0.4721
Brugia malayi polk-prov protein 0.0007 0.0016 0.0081
Brugia malayi Immunoglobulin I-set domain containing protein 0.0029 0.0156 0.0786
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0309 0.0309
Entamoeba histolytica elongation factor-2 kinase, putative 0.0029 0.0156 0.3009
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0786
Brugia malayi von Willebrand factor type A domain containing protein 0.0029 0.0156 0.0786
Schistosoma mansoni nuclear hormone receptor 0.001 0.0033 0.0063
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0786
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0321 0.1611
Plasmodium falciparum von Willebrand factor A domain-related protein 0.0029 0.0156 1
Brugia malayi hypothetical protein 0.0005 0.0004 0.0018
Schistosoma mansoni hypothetical protein 0.0371 0.2326 0.4426
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0309 0.0309
Brugia malayi mbt repeat family protein 0.0047 0.0268 0.1348
Plasmodium falciparum circumsporozoite- and TRAP-related protein 0.0029 0.0156 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.0018
Entamoeba histolytica hypothetical protein, conserved 0.0029 0.0156 0.3009
Onchocerca volvulus 0.0029 0.0156 0.5835
Brugia malayi von Willebrand Factor 0.0029 0.0156 0.0786
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0026 0.0128
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0268 0.051
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0033 0.0168
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0118 0.0593
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0786
Trypanosoma brucei unspecified product 0.0016 0.0072 0.55
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0786
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0786
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0033 0.0168
Brugia malayi von Willebrand factor type A domain containing protein 0.0029 0.0156 0.0786
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0033 0.0033
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0004 0.0004
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0118 0.0225
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0268 0.0268
Entamoeba histolytica hypothetical protein 0.0043 0.0246 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0015 0.0015
Brugia malayi mbt repeat family protein 0.0047 0.0268 0.1348
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0321 0.0321
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0118 0.7353
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0033 0.0033
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0118 1
Trypanosoma brucei unspecified product 0.0023 0.0118 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0786
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0015 0.0015
Giardia lamblia DINP protein human, muc B family 0.0023 0.0118 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0033 0.0063
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0033 0.0063
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0033 0.0033
Onchocerca volvulus 0.0029 0.0156 0.5835
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0004 0.0018
Brugia malayi Cache domain containing protein 0.0318 0.199 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0118 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0033 0.0168
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0033 0.0168
Echinococcus multilocularis collagen alpha 1(VII) chain 0.0029 0.0156 0.0156
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0118 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0118 1
Echinococcus multilocularis cpg binding protein 0.003 0.0162 0.0162
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0321 0.061
Onchocerca volvulus 0.0029 0.0156 0.5835
Loa Loa (eye worm) hypothetical protein 0.001 0.0033 0.0168
Brugia malayi hypothetical protein 0.0005 0.0004 0.0018
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0321 0.0321
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0033 0.0033
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0118 0.0118
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0118 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0321 0.1611
Schistosoma mansoni cpg binding protein 0.0029 0.0151 0.0288
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0354 0.0674
Plasmodium vivax thrombospondin-related anonymous protein 0.0029 0.0156 1
Plasmodium vivax dynein-related AAA-type ATPase, putative 0.0029 0.0156 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0033 0.0033
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0228 0.1417 0.7122
Entamoeba histolytica hypothetical protein 0.0029 0.0156 0.3009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0033 0.0168
Entamoeba histolytica hypothetical protein 0.0043 0.0246 1
Loa Loa (eye worm) MBCTL1 0.0053 0.0309 0.1555
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0118 0.0225
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0033 0.0168
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0016 0.0031
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0033 0.0063
Echinococcus granulosus microtubule associated protein 2 0.0833 0.5256 0.5256
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0033 0.0063
Echinococcus granulosus voltage dependent calcium channel subunit 0.0719 0.4532 0.4532
Brugia malayi CXXC zinc finger family protein 0.0029 0.0151 0.0761
Echinococcus multilocularis dnaJ subfamily B 0.0407 0.255 0.255
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0118 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0004 0.0004
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0118 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0246 0.0246
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0029 0.0156 0.0786
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0309 0.0589
Brugia malayi steroid hormone receptor 0.001 0.0033 0.0168
Schistosoma mansoni cpg binding protein 0.003 0.0162 0.0308
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0313 1
Schistosoma mansoni hypothetical protein 0.0407 0.255 0.4852
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0268 0.1348
Loa Loa (eye worm) von Willebrand factor type A domain-containing protein 0.0029 0.0156 0.0786
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0118 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0786
Brugia malayi Zona pellucida-like domain containing protein 0.0029 0.0156 0.0786
Brugia malayi von Willebrand factor type A domain containing protein 0.0029 0.0156 0.0786
Echinococcus granulosus cpg binding protein 0.003 0.0162 0.0162
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0033 0.0033
Loa Loa (eye worm) CUTiclin family member 0.0029 0.0156 0.0786
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0033 0.0033
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0033 0.0168
Schistosoma mansoni thyroid hormone receptor 0.001 0.0033 0.0063
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0786
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0786
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0004 0.0007
Loa Loa (eye worm) hypothetical protein 0.0053 0.0309 0.1555
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0033 0.0063
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.5256 1
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0004 0.0018
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0246 0.0468
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0004 0.0007
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0268 0.0268
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0309 0.1555
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0033 0.0063
Loa Loa (eye worm) hypothetical protein 0.0318 0.199 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0118 0.0118
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0029 0.0156 1
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0268 0.051
Loa Loa (eye worm) hypothetical protein 0.0007 0.0016 0.0081
Plasmodium falciparum thrombospondin-related anonymous protein 0.0029 0.0156 1
Brugia malayi von Willebrand factor type A domain containing protein 0.0029 0.0156 0.0786
Brugia malayi follicle stimulating hormone receptor 0.0228 0.1417 0.7122
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0004 0.0018
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0033 0.0033
Brugia malayi hypothetical protein 0.0043 0.0246 0.1235
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0246 0.0246
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0118 1
Schistosoma mansoni hypothetical protein 0.0043 0.0246 0.0468
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0118 1
Brugia malayi von Willebrand factor type A domain containing protein 0.0029 0.0156 0.0786
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0786
Onchocerca volvulus 0.0029 0.0156 0.5835
Onchocerca volvulus 0.001 0.0033 0.1244
Loa Loa (eye worm) hypothetical protein 0.001 0.0033 0.0168
Loa Loa (eye worm) hypothetical protein 0.0047 0.0268 0.1348
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.5256 0.5256
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0026 0.0026
Onchocerca volvulus 0.0029 0.0151 0.5645
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.0018
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0118 0.0118
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0033 0.0168
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0033 0.0063
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0348 0.2176 0.414
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0033 0.0063
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0719 0.4532 0.4532
Schistosoma mansoni thyroid hormone receptor 0.001 0.0033 0.0063
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0786
Echinococcus multilocularis dna polymerase eta 0.0023 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0786
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0151 0.0761
Schistosoma mansoni hypothetical protein 0.0286 0.1782 0.339
Echinococcus granulosus dnaJ subfamily B 0.0407 0.255 0.255
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0786
Loa Loa (eye worm) hypothetical protein 0.001 0.0033 0.0168
Treponema pallidum hypothetical protein 0.0029 0.0156 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0072 0.55
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0185 0.1144 0.1144
Plasmodium vivax circumsporozoite- and TRAP-related protein, putative 0.0029 0.0156 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0309 0.0309
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0118 0.0593
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0033 0.0168
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0033 0.0168
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0309 0.0309
Brugia malayi nuclear receptor NHR-88 0.001 0.0033 0.0168
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0033 0.1244
Schistosoma mansoni hypothetical protein 0.0029 0.0156 0.0298
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0033 0.1244
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0033 0.0168
Toxoplasma gondii microneme protein MIC2 0.0029 0.0156 0.4721
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0072 0.55
Trypanosoma brucei unspecified product 0.0016 0.0072 0.55
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0118 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0033 0.0168
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0185 0.1144 0.1144
Echinococcus granulosus dna polymerase kappa 0.0023 0.0118 0.0118
Schistosoma mansoni cpg binding protein 0.003 0.0162 0.0308
Loa Loa (eye worm) hypothetical protein 0.001 0.0033 0.0168
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0033 0.0168
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0033 0.0168
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0033 0.0168
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0033 0.0168
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0033 0.0168
Echinococcus granulosus collagen alpha 1VII chain 0.0029 0.0156 0.0156
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0118 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0033 0.0168
Onchocerca volvulus 0.0029 0.0156 0.5835
Onchocerca volvulus 0.0029 0.0156 0.5835
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0118 0.7353
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0268 0.051
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0033 0.0033
Brugia malayi hypothetical protein 0.0029 0.0156 0.0786
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0033 0.0168
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0033 0.0033
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0033 0.0168
Brugia malayi von Willebrand factor type A domain containing protein 0.0029 0.0156 0.0786
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0321 0.0321
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0118 1
Brugia malayi nuclear receptor RXR 0.0005 0.0004 0.0018
Loa Loa (eye worm) hypothetical protein 0.0005 0.0004 0.0018
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.069 0.4346 0.8268
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0268 1
Echinococcus granulosus FTZ F1 alpha 0.001 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0786
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0033 0.0033
Onchocerca volvulus 0.0047 0.0268 1
Onchocerca volvulus 0.0029 0.0156 0.5835
Loa Loa (eye worm) hypothetical protein 0.001 0.0033 0.0168
Brugia malayi Zona pellucida-like domain containing protein 0.0029 0.0156 0.0786
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0033 0.0033
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0118 1
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0268 0.0268
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0118 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0033 0.0168
Echinococcus multilocularis voltage dependent calcium channel subunit 0.1581 1 1
Brugia malayi ecdysteroid receptor 0.001 0.0033 0.0168
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0033 0.0168
Loa Loa (eye worm) hypothetical protein 0.0023 0.0118 0.0593
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0118 0.0593
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0026 0.0026
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0033 0.0063
Schistosoma mansoni hypothetical protein 0.0029 0.0156 0.0298
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0321 0.061
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0118 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0015 0.0015
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0156 1
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0026 0.0132

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182] ChEMBL. No reference
Potency (functional) 2.0596 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (binding) = 11.2202 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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