Detailed information for compound 1272415

Basic information

Technical information
  • TDR Targets ID: 1272415
  • Name: CBMicro_046075
  • MW: 297.348 | Formula: C18H19NO3
  • H donors: 2 H acceptors: 3 LogP: 2.31 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1C2C=CC(C1C(=O)O)C1C2C1)Nc1ccccc1C
  • InChi: 1S/C18H19NO3/c1-9-4-2-3-5-14(9)19-17(20)15-10-6-7-11(13-8-12(10)13)16(15)18(21)22/h2-7,10-13,15-16H,8H2,1H3,(H,19,20)(H,21,22)
  • InChiKey: HQGWLWWXSRABAP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Oprea1_684705
  • AK-918/40143508
  • 7-{[(2-methylphenyl)amino]carbonyl}tricyclo[3.2.2.0~2,4~]non-8-ene-6-carboxylic acid
  • MLS000673485
  • SMR000298128
  • STK264034
  • BIM-0045958.P001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Equus caballus Ferritin light chain 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
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
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
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
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 pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
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
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
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 pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0239 0.6935 0.6845
Loa Loa (eye worm) nuclear hormone receptor 0.0113 0.2708 0.2495
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1498 0.1249
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0239 0.6935 1
Plasmodium falciparum pyruvate kinase 0.004 0.0285 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0239 0.6935 1
Schistosoma mansoni thyroid hormone receptor 0.0239 0.6935 0.6845
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0786 0.0516
Brugia malayi nuclear receptor NHR-88 0.0239 0.6935 0.6845
Brugia malayi TAR-binding protein 0.0076 0.1498 0.1249
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0113 0.2708 0.2495
Loa Loa (eye worm) hypothetical protein 0.0113 0.2708 0.2495
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0113 0.2708 0.3905
Loa Loa (eye worm) hypothetical protein 0.0239 0.6935 0.6845
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0952 0.0687
Loa Loa (eye worm) DR-78 0.0113 0.2708 0.2495
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0285 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0239 0.6935 1
Schistosoma mansoni glutaminase 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2708 0.2495
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0126 0.3161 0.2961
Schistosoma mansoni nuclear hormone receptor 0.0239 0.6935 0.6845
Loa Loa (eye worm) hypothetical protein 0.0041 0.0314 0.003
Echinococcus granulosus nuclear receptor nhr 48 0.0113 0.2708 0.3644
Loa Loa (eye worm) hypothetical protein 0.0126 0.3161 0.2961
Brugia malayi nuclear hormone receptor family member odr-7 0.0113 0.2708 0.2495
Schistosoma mansoni nuclear receptor nhr-48 0.0113 0.2708 0.2495
Loa Loa (eye worm) hypothetical protein 0.0113 0.2708 0.2495
Schistosoma mansoni zinc finger protein 0.0113 0.2708 0.2495
Loa Loa (eye worm) glutaminase 0.033 1 1
Brugia malayi nuclear hormone receptor 0.0239 0.6935 0.6845
Brugia malayi nuclear receptor RXR 0.0113 0.2708 0.2495
Onchocerca volvulus 0.0113 0.2708 0.3644
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0786 0.1133
Trichomonas vaginalis glutaminase, putative 0.033 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0239 0.6935 0.6845
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0113 0.2708 0.3644
Brugia malayi Nuclear hormone receptor E75 0.0113 0.2708 0.2495
Loa Loa (eye worm) hypothetical protein 0.0239 0.6935 0.6845
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0113 0.2708 0.3905
Loa Loa (eye worm) hypothetical protein 0.0239 0.6935 0.6845
Schistosoma mansoni steroid hormone receptor ad4bp 0.0239 0.6935 0.6845
Brugia malayi Nuclear hormone receptor-like 1 0.0126 0.3161 0.2961
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0239 0.6935 0.6845
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0239 0.6935 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0952 0.0687
Loa Loa (eye worm) hypothetical protein 0.0126 0.3161 0.2961
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0113 0.2708 0.2495
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0239 0.6935 0.6845
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0239 0.6935 0.6845
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0126 0.3161 0.2961
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0239 0.6935 0.6845
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0113 0.2708 0.2495
Loa Loa (eye worm) nuclear receptor NHR-67 0.0113 0.2708 0.2495
Loa Loa (eye worm) glutaminase 2 0.033 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.0314 0.003
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0113 0.2708 0.3644
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0786 0.1133
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0113 0.2708 0.3905
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0239 0.6935 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.1498 0.1249
Leishmania major pyruvate kinase 0.004 0.0285 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1498 0.1249
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0285 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0239 0.6935 0.6845
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0239 0.6935 1
Brugia malayi nuclear receptor NHR-88 0.0113 0.2708 0.2495
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0126 0.3161 0.4325
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0786 0.0754
Brugia malayi hypothetical protein 0.0126 0.3161 0.2961
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0113 0.2708 0.3905
Loa Loa (eye worm) hypothetical protein 0.0113 0.2708 0.2495
Loa Loa (eye worm) hypothetical protein 0.0126 0.3161 0.2961
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0239 0.6935 0.6845
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0239 0.6935 0.6845
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1498 0.1249
Loa Loa (eye worm) hypothetical protein 0.0239 0.6935 0.6845
Chlamydia trachomatis pyruvate kinase 0.004 0.0285 0.5
Brugia malayi RNA binding protein 0.0076 0.1498 0.1249
Brugia malayi ecdysone receptor 0.0113 0.2708 0.2495
Schistosoma mansoni RAR-like nuclear receptor 0.0239 0.6935 0.6845
Brugia malayi steroid hormone receptor 0.0239 0.6935 0.6845
Echinococcus multilocularis pyruvate kinase 0.004 0.0285 0.041
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0239 0.6935 1
Loa Loa (eye worm) hypothetical protein 0.0239 0.6935 0.6845
Echinococcus multilocularis nuclear receptor nhr 48 0.0113 0.2708 0.3905
Echinococcus multilocularis ecdysone induced protein 78C 0.0239 0.6935 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2708 0.2495
Onchocerca volvulus Protein ultraspiracle homolog 0.0239 0.6935 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0239 0.6935 0.6845
Brugia malayi nuclear hormone receptor 0.0113 0.2708 0.2495
Plasmodium vivax pyruvate kinase, putative 0.004 0.0285 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1498 0.2161
Leishmania major pyruvate kinase 0.004 0.0285 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0239 0.6935 0.6845
Brugia malayi orphan nuclear receptor NR2E1 0.0113 0.2708 0.2495
Loa Loa (eye worm) hypothetical protein 0.006 0.0952 0.0687
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0239 0.6935 0.6845
Echinococcus granulosus Nuclear hormone receptor HR96 0.0113 0.2708 0.3644
Brugia malayi Steroid receptor seven-up type 2 0.0239 0.6935 0.6845
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0113 0.2708 0.3905
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0786 0.0516
Brugia malayi Nuclear hormone receptor E75 0.0113 0.2708 0.2495
Brugia malayi Nuclear hormone receptor-like 1 0.0126 0.3161 0.2961
Brugia malayi photoreceptor-specific nuclear receptor 0.0239 0.6935 0.6845
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0314 0.003
Loa Loa (eye worm) hypothetical protein 0.0126 0.3161 0.2961
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0239 0.6935 0.6845
Brugia malayi Nuclear hormone receptor-like 1 0.0239 0.6935 0.6845
Loa Loa (eye worm) hypothetical protein 0.0113 0.2708 0.2495
Loa Loa (eye worm) hypothetical protein 0.0239 0.6935 0.6845
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0239 0.6935 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0786 0.0516
Schistosoma mansoni nuclear hormone receptor 0.0113 0.2708 0.2495
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0239 0.6935 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0239 0.6935 1
Brugia malayi nuclear receptor RXR 0.0126 0.3161 0.2961
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0239 0.6935 0.6845
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0239 0.6935 0.6845
Brugia malayi hypothetical protein 0.0113 0.2708 0.2495
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1498 0.1249
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0126 0.3161 0.4558
Schistosoma mansoni retinoic acid receptor RXR 0.0239 0.6935 0.6845
Schistosoma mansoni nuclear hormone receptor 0.0113 0.2708 0.2495
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.0285 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0786 0.0754
Brugia malayi nuclear hormone receptor family member nhr-6 0.0113 0.2708 0.2495
Schistosoma mansoni coup transcription factor 0.0239 0.6935 0.6845
Echinococcus granulosus FTZ F1 alpha 0.0239 0.6935 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.2708 0.2495
Loa Loa (eye worm) hypothetical protein 0.0113 0.2708 0.2495
Echinococcus granulosus Nuclear hormone receptor HR96 0.0113 0.2708 0.3644
Loa Loa (eye worm) hypothetical protein 0.0113 0.2708 0.2495
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0239 0.6935 1
Brugia malayi tailless protein 0.0113 0.2708 0.2495
Loa Loa (eye worm) hypothetical protein 0.0113 0.2708 0.2495
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0113 0.2708 0.3644
Giardia lamblia Pyruvate kinase 0.004 0.0285 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0239 0.6935 0.6845
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0285 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0239 0.6935 1
Onchocerca volvulus 0.0113 0.2708 0.3644
Onchocerca volvulus 0.0239 0.6935 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0113 0.2708 0.2495
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0239 0.6935 0.6845
Loa Loa (eye worm) hypothetical protein 0.0126 0.3161 0.2961
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0239 0.6935 1
Brugia malayi conserved hypotetical protein 0.0113 0.2708 0.2495
Brugia malayi hypothetical protein 0.0126 0.3161 0.2961
Loa Loa (eye worm) hypothetical protein 0.0113 0.2708 0.2495
Loa Loa (eye worm) steroid hormone receptor 0.0239 0.6935 0.6845
Schistosoma mansoni nuclear receptor 0.0113 0.2708 0.2495
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1498 0.1249
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0126 0.3161 0.2961
Onchocerca volvulus Bile acid receptor homolog 0.0239 0.6935 1
Schistosoma mansoni thyroid hormone receptor 0.0239 0.6935 0.6845
Loa Loa (eye worm) hypothetical protein 0.0113 0.2708 0.2495
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0239 0.6935 0.6845
Brugia malayi nuclear receptor NHR-67 0.0113 0.2708 0.2495
Echinococcus granulosus thyroid hormone receptor alpha 0.0113 0.2708 0.3644
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0239 0.6935 0.6845
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0239 0.6935 0.6845
Trypanosoma brucei pyruvate kinase 1 0.004 0.0285 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0239 0.6935 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0786 0.0516
Loa Loa (eye worm) hypothetical protein 0.0239 0.6935 0.6845
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0239 0.6935 0.6845
Schistosoma mansoni nuclear receptor 0.0113 0.2708 0.2495
Mycobacterium ulcerans glutaminase 0.033 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0239 0.6935 0.6845
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0239 0.6935 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1498 0.1249
Echinococcus multilocularis pyruvate kinase 0.004 0.0285 0.041
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0239 0.6935 0.6845
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0285 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1498 0.1249
Echinococcus granulosus tar DNA binding protein 0.0076 0.1498 0.1825
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0285 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0239 0.6935 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0952 0.0687
Brugia malayi ecdysteroid receptor 0.0239 0.6935 0.6845
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0239 0.6935 0.6845
Loa Loa (eye worm) hypothetical protein 0.0113 0.2708 0.2495
Brugia malayi hypothetical protein 0.0113 0.2708 0.2495
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0786 0.0516
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0239 0.6935 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1498 0.1249
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0239 0.6935 0.6845
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0113 0.2708 0.3644
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0239 0.6935 0.6845
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0239 0.6935 0.6845

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0047 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 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) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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