Detailed information for compound 1386651

Basic information

Technical information
  • TDR Targets ID: 1386651
  • Name: Oprea1_746921
  • MW: 384.227 | Formula: C18H14BrN3O2
  • H donors: 0 H acceptors: 3 LogP: 3.51 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc2c3c1cccc3c(=O)n(c2=O)c1c(C)nn(c1C)C
  • InChi: 1S/C18H14BrN3O2/c1-9-16(10(2)21(3)20-9)22-17(23)12-6-4-5-11-14(19)8-7-13(15(11)12)18(22)24/h4-8H,1-3H3
  • InChiKey: JMLNXNGLKMEXFL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-Bromo-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-benzo[de]isoquinoline-1,3-dione
  • BAS 00850568
  • SMR000118944
  • ZINC00840951
  • A2195/0092374
  • Oprea1_162604
  • MLS000121504

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Pseudomonas aeruginosa Beta Lactamase Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens toll-like receptor 9 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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans class a beta-lactamase, BlaC Get druggable targets OG5_143180 All targets in OG5_143180
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
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
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium tuberculosis Class a beta-lactamase BlaC Get druggable targets OG5_143180 All targets in OG5_143180
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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 lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
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 muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
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
Onchocerca volvulus 0.0121 0.4031 0.3976
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0057 0.1714 0.196
Plasmodium vivax SET domain protein, putative 0.0036 0.0949 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0121 0.4031 0.4611
Schistosoma mansoni nuclear hormone receptor 0.0121 0.4031 0.4228
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0121 0.4031 0.4611
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0121 0.4031 0.6529
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0057 0.1714 0.1637
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0121 0.4031 0.4611
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1644 0.1724
Loa Loa (eye worm) hypothetical protein 0.0064 0.1962 0.2244
Schistosoma mansoni nuclear receptor nhr-48 0.0057 0.1714 0.1797
Echinococcus granulosus muscleblind protein 0.018 0.6175 1
Onchocerca volvulus 0.0057 0.1714 0.1637
Schistosoma mansoni lamin 0.0033 0.0823 0.0864
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0057 0.1714 0.2775
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0949 0.0996
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0949 0.0996
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.3279 0.3439
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0949 0.0996
Echinococcus granulosus lamin dm0 0.0033 0.0823 0.1333
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0064 0.1962 0.2058
Echinococcus multilocularis FTZ F1 alpha 0.0121 0.4031 0.4228
Schistosoma mansoni lamin 0.0033 0.0823 0.0864
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0667 0.5
Loa Loa (eye worm) hypothetical protein 0.0121 0.4031 0.4611
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.109 0.0886
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1644 0.188
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1644 0.2663
Brugia malayi Nuclear hormone receptor-like 1 0.0121 0.4031 0.4611
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.016 0.5446 1
Brugia malayi orphan nuclear receptor NR2E1 0.0057 0.1714 0.196
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1259 0.5
Echinococcus granulosus FTZ F1 alpha 0.0121 0.4031 0.6529
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1644 0.1724
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0121 0.4031 0.4228
Echinococcus granulosus intermediate filament protein 0.0033 0.0823 0.1333
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0823 0.0942
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0949 0.0996
Loa Loa (eye worm) hypothetical protein 0.0057 0.1714 0.196
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0057 0.1714 0.1797
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0121 0.4031 0.4228
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 0.1714 0.2775
Loa Loa (eye worm) hypothetical protein 0.0036 0.0949 0.1086
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0121 0.4031 0.6529
Brugia malayi nuclear receptor RXR 0.0064 0.1962 0.2244
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0121 0.4031 0.6529
Loa Loa (eye worm) nuclear hormone receptor 0.0057 0.1714 0.196
Loa Loa (eye worm) hypothetical protein 0.0057 0.1714 0.196
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0057 0.1714 0.1797
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0121 0.4031 0.4228
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0121 0.4031 0.3976
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.1259 0.124
Loa Loa (eye worm) hypothetical protein 0.0057 0.1714 0.196
Loa Loa (eye worm) inositol-1 0.0045 0.1259 0.144
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0121 0.4031 0.4611
Brugia malayi Muscleblind-like protein 0.018 0.6175 0.7063
Schistosoma mansoni nuclear hormone receptor 0.0057 0.1714 0.1797
Loa Loa (eye worm) hypothetical protein 0.0121 0.4031 0.4611
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1259 0.5
Echinococcus multilocularis musashi 0.0033 0.0823 0.0864
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0057 0.1714 0.196
Loa Loa (eye worm) hypothetical protein 0.0121 0.4031 0.4611
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1644 0.1724
Brugia malayi Nuclear hormone receptor E75 0.0057 0.1714 0.196
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0121 0.4031 0.4228
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0077 0.2429 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.1962 0.2244
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0949 0.4773
Brugia malayi nuclear hormone receptor 0.0121 0.4031 0.4611
Echinococcus granulosus thyroid hormone receptor alpha 0.0057 0.1714 0.2775
Brugia malayi steroid hormone receptor 0.0121 0.4031 0.4611
Brugia malayi hypothetical protein 0.0064 0.1962 0.2244
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0057 0.1714 0.1797
Loa Loa (eye worm) hypothetical protein 0.0057 0.1714 0.196
Schistosoma mansoni inositol monophosphatase 0.0045 0.1259 0.1321
Brugia malayi Inositol-1 0.0045 0.1259 0.144
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.3279 0.3751
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0949 0.1538
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0121 0.4031 0.4228
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0276 0.0316
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0121 0.4031 0.4611
Onchocerca volvulus 0.0036 0.0949 0.0866
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0121 0.4031 0.6529
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0064 0.1962 0.2244
Echinococcus granulosus ecdysone induced protein 78C 0.0121 0.4031 0.6529
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1259 1
Brugia malayi ecdysteroid receptor 0.0121 0.4031 0.4611
Schistosoma mansoni inositol monophosphatase 0.0045 0.1259 0.1321
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.3279 0.3439
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.1259 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0823 0.0942
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0077 0.2429 0.3688
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.016 0.5446 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0121 0.4031 0.4611
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0121 0.4031 0.4611
Loa Loa (eye worm) hypothetical protein 0.0064 0.1962 0.2244
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0121 0.4031 0.4611
Brugia malayi Pre-SET motif family protein 0.0036 0.0949 0.1086
Echinococcus granulosus lamin 0.0033 0.0823 0.1333
Brugia malayi Pre-SET motif family protein 0.0251 0.8743 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0949 0.0996
Onchocerca volvulus Protein ultraspiracle homolog 0.0121 0.4031 0.3976
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0121 0.4031 0.4228
Echinococcus multilocularis muscleblind protein 1 0.018 0.6175 0.6476
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0667 0.5
Trypanosoma brucei beta lactamase 0.0077 0.2429 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.4031 0.4611
Onchocerca volvulus 0.0057 0.1714 0.1637
Brugia malayi hypothetical protein 0.0057 0.1714 0.196
Echinococcus granulosus nuclear receptor nhr 48 0.0057 0.1714 0.2775
Schistosoma mansoni thyroid hormone receptor 0.0273 0.9535 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0057 0.1714 0.2775
Schistosoma mansoni coup transcription factor 0.0121 0.4031 0.4228
Loa Loa (eye worm) hypothetical protein 0.0057 0.1714 0.196
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.1259 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.1714 0.196
Loa Loa (eye worm) steroid hormone receptor 0.0121 0.4031 0.4611
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.109 0.2401
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1644 0.1724
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4864 0.5563
Loa Loa (eye worm) hypothetical protein 0.0057 0.1714 0.196
Echinococcus multilocularis lamin 0.0033 0.0823 0.0864
Onchocerca volvulus 0.0033 0.0823 0.0738
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1644 0.2663
Loa Loa (eye worm) hypothetical protein 0.0057 0.1714 0.196
Schistosoma mansoni nuclear hormone receptor 0.0057 0.1714 0.1797
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0121 0.4031 0.4611
Loa Loa (eye worm) hypothetical protein 0.0121 0.4031 0.4611
Schistosoma mansoni steroid hormone receptor ad4bp 0.0121 0.4031 0.4228
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0121 0.4031 0.4611
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0823 0.0942
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0064 0.1962 0.2058
Brugia malayi nuclear hormone receptor 0.0057 0.1714 0.196
Schistosoma mansoni nuclear receptor 0.0057 0.1714 0.1797
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0213 0.0346
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0121 0.4031 0.4611
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.5148 0.5399
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0949 0.0996
Onchocerca volvulus Bile acid receptor homolog 0.0121 0.4031 0.3976
Schistosoma mansoni intermediate filament proteins 0.0033 0.0823 0.0864
Brugia malayi Steroid receptor seven-up type 2 0.0121 0.4031 0.4611
Brugia malayi intermediate filament protein 0.0033 0.0823 0.0942
Onchocerca volvulus 0.0033 0.0823 0.0738
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.5148 0.8337
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 0.1714 0.1797
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0121 0.4031 0.4611
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0901 0.146
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0121 0.4031 0.4611
Brugia malayi Nuclear hormone receptor-like 1 0.0064 0.1962 0.2244
Schistosoma mansoni zinc finger protein 0.0057 0.1714 0.1797
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0213 0.0224
Schistosoma mansoni thyroid hormone receptor 0.0273 0.9535 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.1714 0.196
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0121 0.4031 0.4611
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Onchocerca volvulus 0.01 0.3279 0.3217
Loa Loa (eye worm) hypothetical protein 0.0121 0.4031 0.4611
Loa Loa (eye worm) hypothetical protein 0.0057 0.1714 0.196
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4864 0.5563
Brugia malayi Nuclear hormone receptor-like 1 0.0064 0.1962 0.2244
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1644 0.188
Echinococcus multilocularis thyroid hormone receptor alpha 0.0273 0.9535 1
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.0667 0.5
Brugia malayi nuclear receptor NHR-67 0.0057 0.1714 0.196
Brugia malayi photoreceptor-specific nuclear receptor 0.0121 0.4031 0.4611
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.1259 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0802 0.0917
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0121 0.4031 0.6529
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0121 0.4031 0.6529
Loa Loa (eye worm) hypothetical protein 0.018 0.6175 0.7063
Brugia malayi nuclear hormone receptor family member odr-7 0.0057 0.1714 0.196
Loa Loa (eye worm) hypothetical protein 0.0015 0.0192 0.0219
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0121 0.4031 0.4228
Echinococcus granulosus Nuclear hormone receptor HR96 0.0057 0.1714 0.2775
Echinococcus multilocularis lamin dm0 0.0033 0.0823 0.0864
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0121 0.4031 0.6529
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0276 0.0316
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0121 0.4031 0.4228
Schistosoma mansoni RAR-like nuclear receptor 0.0121 0.4031 0.4228
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8743 1
Schistosoma mansoni hypothetical protein 0.0152 0.5148 0.5399
Brugia malayi nuclear hormone receptor family member nhr-6 0.0057 0.1714 0.196
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0121 0.4031 0.4611
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0823 0.0942
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0057 0.1714 0.1637
Loa Loa (eye worm) hypothetical protein 0.0057 0.1714 0.196
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0121 0.4031 0.4228
Brugia malayi hypothetical protein 0.0057 0.1714 0.196
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0121 0.4031 0.4611
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0121 0.4031 0.4611
Echinococcus multilocularis nuclear receptor nhr 48 0.0057 0.1714 0.1797
Brugia malayi Nuclear hormone receptor E75 0.0057 0.1714 0.196
Mycobacterium ulcerans lipoprotein LpqF 0.0077 0.2429 0.3688
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1259 0.3361
Echinococcus multilocularis ecdysone induced protein 78C 0.0121 0.4031 0.4228
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.1259 0.1321
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1644 0.1724
Brugia malayi nuclear receptor NHR-88 0.0057 0.1714 0.196
Loa Loa (eye worm) hypothetical protein 0.0057 0.1714 0.196
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0121 0.4031 0.4611
Brugia malayi tailless protein 0.0057 0.1714 0.196
Loa Loa (eye worm) hypothetical protein 0.0057 0.1714 0.196
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0121 0.4031 0.4228
Loa Loa (eye worm) hypothetical protein 0.0121 0.4031 0.4611
Loa Loa (eye worm) DR-78 0.0057 0.1714 0.196
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.3279 0.531
Brugia malayi hypothetical protein 0.0064 0.1962 0.2244
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0121 0.4031 0.4228
Brugia malayi nuclear receptor NHR-88 0.0121 0.4031 0.4611
Loa Loa (eye worm) hypothetical protein 0.0015 0.0192 0.0219
Brugia malayi ecdysone receptor 0.0057 0.1714 0.196
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0121 0.4031 0.4611
Loa Loa (eye worm) hypothetical protein 0.0064 0.1962 0.2244
Loa Loa (eye worm) hypothetical protein 0.0064 0.1962 0.2244
Loa Loa (eye worm) hypothetical protein 0.0016 0.0213 0.0244
Echinococcus multilocularis muscleblind protein 0.018 0.6175 0.6476
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0121 0.4031 0.4611
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0057 0.1714 0.1797
Loa Loa (eye worm) hypothetical protein 0.018 0.6175 0.7063
Schistosoma mansoni retinoic acid receptor RXR 0.0121 0.4031 0.4228
Loa Loa (eye worm) hypothetical protein 0.01 0.3279 0.3751
Loa Loa (eye worm) hypothetical protein 0.0121 0.4031 0.4611
Brugia malayi nuclear receptor RXR 0.0057 0.1714 0.196
Loa Loa (eye worm) nuclear receptor NHR-67 0.0057 0.1714 0.196
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0057 0.1714 0.1797
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0121 0.4031 0.4228
Schistosoma mansoni nuclear receptor 0.0057 0.1714 0.1797
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0064 0.1962 0.3177
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.1259 0.2039
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0064 0.1962 0.2058
Brugia malayi MH2 domain containing protein 0.0144 0.4864 0.5563
Brugia malayi conserved hypotetical protein 0.0057 0.1714 0.196
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0057 0.1714 0.1797

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.716 uM PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251] ChEMBL. No reference
IC50 (binding) = 12.848 uM PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for inhibitors of TLR9-MyD88 binding. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251] ChEMBL. No reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 3.1623 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) 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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