Detailed information for compound 1450704

Basic information

Technical information
  • TDR Targets ID: 1450704
  • Name: MLS000776632
  • MW: 313.308 | Formula: C16H15N3O4
  • H donors: 2 H acceptors: 4 LogP: 1.46 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)C(=O)c1cnc2c(c1)CN(C(=O)N2)C)O
  • InChi: 1S/C16H15N3O4/c1-19-8-10-5-9(7-17-15(10)18-16(19)22)14(21)12-6-11(23-2)3-4-13(12)20/h3-7,20H,8H2,1-2H3,(H,17,18,22)
  • InChiKey: IVLUHQWKMDBVTN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • SMR000371877
  • ZINC02616094
  • T5223245

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
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
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) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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 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
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0076 0.0147 0.0287
Loa Loa (eye worm) MH2 domain-containing protein 0.0169 0.0528 0.0528
Echinococcus granulosus Smad4 0.0169 0.0528 0.1898
Brugia malayi hypothetical protein 0.0124 0.0343 0.0343
Echinococcus multilocularis GPCR, family 2 0.0597 0.2276 0.8177
Loa Loa (eye worm) MH1 domain-containing protein 0.0076 0.0145 0.0145
Brugia malayi nuclear receptor NHR-88 0.0076 0.0147 0.0147
Brugia malayi mothers against decapentaplegic homolog 3 0.0076 0.0145 0.0145
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0076 0.0147 0.0147
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0169 0.0528 0.1898
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0076 0.0147 0.0147
Entamoeba histolytica tartrate dehydrogenase, putative 0.0051 0.0043 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0076 0.0147 0.0526
Echinococcus multilocularis geminin 0.0205 0.0673 0.2417
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0597 0.2276 0.8177
Brugia malayi TAR-binding protein 0.0721 0.2784 0.2784
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0062 0.0222
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0702 0.2706 0.9719
Loa Loa (eye worm) hypothetical protein 0.0076 0.0147 0.0147
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0076 0.0147 0.0526
Loa Loa (eye worm) TK/ABL protein kinase 0.0702 0.2706 0.2706
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0051 0.0043 0.0153
Loa Loa (eye worm) hypothetical protein 0.018 0.0574 0.0574
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1886 0.7549 0.7549
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0062 0.0062
Schistosoma mansoni hypothetical protein 0.0205 0.0673 0.1317
Loa Loa (eye worm) hypothetical protein 0.0076 0.0147 0.0147
Echinococcus granulosus mothers against decapentaplegic 2 0.0076 0.0145 0.0522
Toxoplasma gondii isocitrate dehydrogenase 0.0416 0.1539 1
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0073 0.0133 0.0477
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0416 0.1539 0.5527
Brugia malayi MH2 domain containing protein 0.0076 0.0145 0.0145
Schistosoma mansoni tar DNA-binding protein 0.0721 0.2784 0.5449
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0076 0.0147 0.0147
Echinococcus granulosus ecdysone induced protein 78C 0.0076 0.0147 0.0526
Schistosoma mansoni thyroid hormone receptor 0.0076 0.0147 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0076 0.0147 0.0147
Echinococcus multilocularis tar DNA binding protein 0.0721 0.2784 1
Schistosoma mansoni retinoic acid receptor RXR 0.0076 0.0147 0.0287
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0076 0.0147 0.0147
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0076 0.0147 0.0526
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0571 0.2171 0.7798
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0076 0.0147 0.0147
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0076 0.0147 0.0147
Echinococcus multilocularis isocitrate dehydrogenase 0.0416 0.1539 0.5527
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0051 0.0043 0.0043
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0076 0.0147 0.0287
Echinococcus multilocularis tyrosine protein kinase Abl 0.0286 0.1006 0.3613
Brugia malayi Calcitonin receptor-like protein seb-1 0.1886 0.7549 0.7549
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0076 0.0147 0.0287
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0159 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0169 0.0528 0.1898
Brugia malayi MH2 domain containing protein 0.0169 0.0528 0.0528
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0416 0.1539 1
Brugia malayi hypothetical protein 0.0192 0.0621 0.0621
Echinococcus granulosus glycosyltransferase protein LARGE2 0.0073 0.0133 0.0477
Schistosoma mansoni hypothetical protein 0.0597 0.2276 0.4456
Loa Loa (eye worm) hypothetical protein 0.1886 0.7549 0.7549
Schistosoma mansoni tar DNA-binding protein 0.0721 0.2784 0.5449
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0571 0.2171 0.7798
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0076 0.0147 0.0147
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0597 0.2276 0.8177
Brugia malayi ecdysteroid receptor 0.0076 0.0147 0.0147
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0159 0.5
Loa Loa (eye worm) RNA binding protein 0.0721 0.2784 0.2784
Brugia malayi Smad1 0.0169 0.0528 0.0528
Echinococcus granulosus Glycosyltransferase protein LARGE1 0.0056 0.0064 0.0228
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0051 0.0043 0.0153
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0076 0.0147 0.0147
Loa Loa (eye worm) hypothetical protein 0.0597 0.2276 0.2276
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0159 0.0311
Echinococcus multilocularis FTZ F1 alpha 0.0076 0.0147 0.0526
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0159 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0159 1
Brugia malayi Probable ClpP-like protease 0.0079 0.0159 0.0159
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0416 0.1539 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0416 0.1539 0.5527
Plasmodium vivax ataxin-2 like protein, putative 0.0192 0.0621 0.3351
Loa Loa (eye worm) hypothetical protein 0.0192 0.0621 0.0621
Echinococcus granulosus mothers against decapentaplegic 6 0.0076 0.0145 0.0522
Loa Loa (eye worm) nuclear factor I 0.0094 0.0219 0.0219
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0076 0.0147 0.0287
Echinococcus multilocularis mothers against decapentaplegic 2 0.0076 0.0145 0.0522
Schistosoma mansoni smad1 5 8 and 0.0169 0.0528 0.1034
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0048 0.0422
Echinococcus granulosus FTZ F1 alpha 0.0076 0.0147 0.0526
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0416 0.1539 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0416 0.1539 1
Echinococcus granulosus geminin 0.0205 0.0673 0.2417
Loa Loa (eye worm) MH2 domain-containing protein 0.0076 0.0145 0.0145
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0051 0.0043 0.0043
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0076 0.0147 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0147 0.0147
Echinococcus multilocularis smad 0.0169 0.0528 0.1898
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0048 0.0033
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0076 0.0147 0.0147
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0597 0.2276 0.2276
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0076 0.0147 0.0147
Loa Loa (eye worm) hypothetical protein 0.0266 0.0925 0.0925
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0062 0.0121
Echinococcus granulosus muscleblind protein 0.018 0.0574 0.2061
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0597 0.2276 0.8177
Brugia malayi Nuclear hormone receptor-like 1 0.0076 0.0147 0.0147
Brugia malayi MH1 domain containing protein 0.0094 0.0219 0.0219
Loa Loa (eye worm) hypothetical protein 0.0076 0.0147 0.0147
Loa Loa (eye worm) hypothetical protein 0.0094 0.0219 0.0219
Schistosoma mansoni unc-13 (munc13) 0.0051 0.0043 0.0084
Schistosoma mansoni smad1 5 8 and 0.0169 0.0528 0.1034
Brugia malayi Tyrosine-protein kinase abl-1 0.0425 0.1576 0.1576
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0062 0.0121
Schistosoma mansoni Smad4 0.0076 0.0145 0.0285
Onchocerca volvulus 0.0076 0.0147 1
Schistosoma mansoni hypothetical protein 0.0086 0.0188 0.0368
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0048 0.0171
Loa Loa (eye worm) TAR-binding protein 0.0721 0.2784 0.2784
Schistosoma mansoni hypothetical protein 0.0597 0.2276 0.4456
Schistosoma mansoni isocitrate dehydrogenase 0.0051 0.0043 0.0084
Brugia malayi Probable isocitrate dehydrogenase 0.0051 0.0043 0.0043
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0159 0.0571
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0051 0.0043 0.0043
Schistosoma mansoni coup transcription factor 0.0076 0.0147 0.0287
Loa Loa (eye worm) transcription factor SMAD2 0.2485 1 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0086 0.0188 0.0676
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0076 0.0147 0.0147
Brugia malayi RNA binding protein 0.0721 0.2784 0.2784
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0159 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0062 0.0222
Echinococcus multilocularis Smad4 0.0169 0.0528 0.1898
Loa Loa (eye worm) steroid hormone receptor 0.0076 0.0147 0.0147
Echinococcus granulosus GPCR family 2 0.0597 0.2276 0.8177
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0076 0.0147 0.0526
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0597 0.2276 0.8177
Schistosoma mansoni nuclear hormone receptor 0.0076 0.0147 0.0287
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0051 0.0043 0.0043
Schistosoma mansoni glycosyltransferase-related 0.0075 0.0143 0.0279
Brugia malayi MH1 domain containing protein 0.0169 0.0528 0.0528
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0076 0.0147 0.0147
Schistosoma mansoni tar DNA-binding protein 0.0721 0.2784 0.5449
Onchocerca volvulus Protein ultraspiracle homolog 0.0076 0.0147 1
Loa Loa (eye worm) nuclear hormone receptor 0.0531 0.2007 0.2007
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0076 0.0147 0.0526
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0416 0.1539 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0076 0.0147 0.0287
Brugia malayi Probable isocitrate dehydrogenase 0.0051 0.0043 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0076 0.0147 0.0147
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0076 0.0147 0.0147
Schistosoma mansoni smad 0.0169 0.0528 0.1034
Plasmodium falciparum ataxin-2 like protein, putative 0.0192 0.0621 0.3351
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0051 0.0043 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0076 0.0147 0.0147
Echinococcus multilocularis Glycosyl transferase, family 8 0.0075 0.0143 0.0512
Echinococcus granulosus tar DNA binding protein 0.0721 0.2784 1
Schistosoma mansoni tar DNA-binding protein 0.0721 0.2784 0.5449
Loa Loa (eye worm) hypothetical protein 0.1289 0.5109 0.5109
Brugia malayi Isocitrate dehydrogenase 0.0416 0.1539 0.1539
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0416 0.1539 0.5527
Loa Loa (eye worm) hypothetical protein 0.0076 0.0145 0.0145
Loa Loa (eye worm) Smad1 0.0169 0.0528 0.0528
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0076 0.0147 0.0526
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0076 0.0147 0.0287
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0416 0.1539 0.5527
Loa Loa (eye worm) MH2 domain-containing protein 0.2485 1 1
Echinococcus multilocularis conserved hypothetical protein 0.0056 0.0064 0.0228
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0076 0.0147 0.0526
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0721 0.2784 0.2784
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0076 0.0147 0.0147
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0076 0.0147 0.0147
Echinococcus multilocularis ecdysone induced protein 78C 0.0076 0.0147 0.0526
Schistosoma mansoni tar DNA-binding protein 0.0721 0.2784 0.5449
Loa Loa (eye worm) hypothetical protein 0.018 0.0574 0.0574
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.0159 1
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0051 0.0043 0.0084
Schistosoma mansoni Smad4 0.0169 0.0528 0.1034
Schistosoma mansoni steroid hormone receptor ad4bp 0.0076 0.0147 0.0287
Schistosoma mansoni hypothetical protein 0.0205 0.0673 0.1317
Schistosoma mansoni hypothetical protein 0.1289 0.5109 1
Brugia malayi Latrophilin receptor protein 2 0.0597 0.2276 0.2276
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0416 0.1539 0.5527
Brugia malayi Tyrosine-protein kinase abl-1 0.0286 0.1006 0.1006
Loa Loa (eye worm) glycosyl transferase family 8 protein 0.0075 0.0143 0.0143
Schistosoma mansoni tyrosine kinase 0.0692 0.2664 0.5216
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0048 0.0171
Echinococcus granulosus tyrosine protein kinase ABL1 0.0702 0.2706 0.9719
Schistosoma mansoni Smad4 0.0076 0.0145 0.0285
Echinococcus granulosus Glycosyl transferase family 8 0.0075 0.0143 0.0512
Loa Loa (eye worm) hypothetical protein 0.0535 0.2024 0.2024
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0086 0.0188 0.0676
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0076 0.0147 0.0526
Echinococcus multilocularis thyroid hormone receptor alpha 0.0076 0.0147 0.0526
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0073 0.0133 0.0477
Toxoplasma gondii isocitrate dehydrogenase 0.0416 0.1539 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0062 0.0121
Brugia malayi nuclear hormone receptor 0.0076 0.0147 0.0147
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0416 0.1539 0.3012
Echinococcus granulosus smad 0.0169 0.0528 0.1898
Brugia malayi latrophilin 2 splice variant baaae 0.1289 0.5109 0.5109
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0076 0.0147 0.0526
Loa Loa (eye worm) hypothetical protein 0.0079 0.0159 0.0159
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0076 0.0147 0.0526
Loa Loa (eye worm) latrophilin receptor protein 2 0.0597 0.2276 0.2276
Loa Loa (eye worm) hypothetical protein 0.0076 0.0147 0.0147
Loa Loa (eye worm) hypothetical protein 0.0076 0.0147 0.0147
Brugia malayi steroid hormone receptor 0.0076 0.0147 0.0147
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0169 0.0528 0.1034
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0051 0.0043 0.0153
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0062 0.0222
Brugia malayi Steroid receptor seven-up type 2 0.0571 0.2171 0.2171
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0416 0.1539 1
Schistosoma mansoni smad1 5 8 and 0.0169 0.0528 0.1034
Toxoplasma gondii LsmAD domain-containing protein 0.0192 0.0621 0.3351
Echinococcus multilocularis muscleblind protein 0.018 0.0574 0.2061
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0062 0.0062
Brugia malayi photoreceptor-specific nuclear receptor 0.055 0.2086 0.2086
Brugia malayi isocitrate dehydrogenase 0.0416 0.1539 0.1539
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0073 0.0133 0.0477
Brugia malayi RNA recognition motif domain containing protein 0.0721 0.2784 0.2784
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1886 0.7549 0.7549
Loa Loa (eye worm) hypothetical protein 0.055 0.2086 0.2086
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0048 0.0033
Loa Loa (eye worm) MH1 domain-containing protein 0.0169 0.0528 0.0528
Echinococcus granulosus TGF beta signal transducer SmadC 0.0169 0.0528 0.1898
Schistosoma mansoni hypothetical protein 0.0597 0.2276 0.4456
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0062 0.0222
Loa Loa (eye worm) hypothetical protein 0.0076 0.0147 0.0147
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0159 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0043 0.0043
Schistosoma mansoni hypothetical protein 0.0597 0.2276 0.4456
Plasmodium falciparum ataxin-2 like protein, putative 0.0192 0.0621 0.3351
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0076 0.0147 0.0526
Loa Loa (eye worm) isocitrate dehydrogenase 0.0416 0.1539 0.1539
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0416 0.1539 1
Schistosoma mansoni smad 0.0076 0.0145 0.0285
Echinococcus multilocularis mothers against decapentaplegic 6 0.0076 0.0145 0.0522
Brugia malayi Muscleblind-like protein 0.018 0.0574 0.0574
Brugia malayi MH2 domain containing protein 0.0169 0.0528 0.0528
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0076 0.0147 0.0147
Onchocerca volvulus Bile acid receptor homolog 0.0076 0.0147 1
Leishmania major hypothetical protein, conserved 0.0192 0.0621 0.3867
Echinococcus multilocularis Glycosyltransferase protein LARGE1 0.0056 0.0064 0.0228
Echinococcus multilocularis mothers against decapentaplegic 5 0.0169 0.0528 0.1898
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0159 0.0571
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0076 0.0147 0.0147
Brugia malayi Glycosyl transferase family 8 protein 0.0075 0.0143 0.0143
Brugia malayi MH1 domain containing protein 0.0169 0.0528 0.0528
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0416 0.1539 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.0574 0.2061
Schistosoma mansoni thyroid hormone receptor 0.0076 0.0147 0.0287
Brugia malayi MH1 domain containing protein 0.0094 0.0219 0.0219
Schistosoma mansoni RAR-like nuclear receptor 0.0076 0.0147 0.0287
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0051 0.0043 0.0153

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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 (binding) 17.7828 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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 (binding) = 25.1189 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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