Detailed information for compound 1286448

Basic information

Technical information
  • TDR Targets ID: 1286448
  • Name: 3-[3-(5-methyl-7-oxo-3-phenylpyrano[5,6-f][1] benzoxol-6-yl)propanoylamino]propanoic acid
  • MW: 419.427 | Formula: C24H21NO6
  • H donors: 2 H acceptors: 4 LogP: 2.87 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1)NCCC(=O)O
  • InChi: 1S/C24H21NO6/c1-14-16(7-8-22(26)25-10-9-23(27)28)24(29)31-21-12-20-18(11-17(14)21)19(13-30-20)15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H,25,26)(H,27,28)
  • InChiKey: AWXVKFULPAVVLR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[3-(5-methyl-7-oxo-3-phenyl-pyrano[5,6-f]benzofuran-6-yl)propanoylamino]propanoic acid
  • 3-[[3-(5-methyl-7-oxo-3-phenyl-6-pyrano[5,6-f]benzofuranyl)-1-oxopropyl]amino]propanoic acid
  • 3-[3-(7-keto-5-methyl-3-phenyl-pyrano[5,6-f]benzofuran-6-yl)propanoylamino]propionic acid
  • 3-[3-(5-methyl-7-oxo-3-phenyl-pyrano[5,6-f][1]benzoxol-6-yl)propanoylamino]propanoic acid
  • STOCK1N-42705

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor 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) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans 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
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 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis pyruvate kinase 0.0033 0.0748 0.0748
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0039 0.0904 0.0904
Loa Loa (eye worm) hypothetical protein 0.0012 0.0162 0.0178
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0162 0.0178
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0906 0.0995
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.012 0.0132
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0402 0.0442
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0906 0.0262
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0906 0.0906
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0162 0.0162
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0108 0.287 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.1165 0.1279
Echinococcus multilocularis pyruvate kinase 0.0017 0.0296 0.0296
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.012 0.0132
Loa Loa (eye worm) hypothetical protein 0.0012 0.0162 0.0178
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0162 0.0178
Echinococcus multilocularis SWI:SNF matrix associated 0.0108 0.287 0.287
Loa Loa (eye worm) hypothetical protein 0.0039 0.0906 0.0995
Toxoplasma gondii ABC1 family protein 0.0039 0.0906 0.2858
Schistosoma mansoni brg-1 associated factor 0.0108 0.287 0.287
Echinococcus granulosus importin subunit beta 1 0.0028 0.0612 0.0612
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0162 0.0178
Schistosoma mansoni hypothetical protein 0.0017 0.0287 0.0287
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1165 0.1165
Onchocerca volvulus 0.0039 0.0904 0.1695
Onchocerca volvulus 0.0108 0.287 0.6184
Onchocerca volvulus 0.0039 0.0904 0.1695
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0162 0.0162
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0462 0.0285
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.4795 0.5157
Loa Loa (eye worm) hypothetical protein 0.0039 0.0906 0.0995
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0402 0.1027
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0162 0.0178
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0162 0.0162
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0162 0.0178
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0039 0.0904 0.9977
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0162 0.0178
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.4541 0.4871
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0162 0.0162
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0039 0.0904 0.9977
Loa Loa (eye worm) hypothetical protein 0.0039 0.0904 0.0993
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0162 0.0162
Loa Loa (eye worm) pyruvate kinase 0.0007 0.0015 0.0016
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0162 0.0178
Schistosoma mansoni coup transcription factor 0.0012 0.0162 0.0162
Entamoeba histolytica hypothetical protein 0.0043 0.1041 1
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.4541 0.4871
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0402 0.2779
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0906 0.0262
Schistosoma mansoni ran 0.0021 0.0402 0.0402
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0162 0.0162
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0162 0.0162
Schistosoma mansoni pyruvate kinase 0.0033 0.0748 0.0748
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0012 0.0162 0.0178
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0162 0.0162
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0904 0.9977
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0402 0.4492
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0162 0.0162
Leishmania major hypothetical protein, conserved 0.0039 0.0904 0.9977
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1299 0.1427
Loa Loa (eye worm) hypothetical protein 0.0017 0.0287 0.0315
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1041 0.1041
Brugia malayi beta-lactamase family protein 0.0039 0.0906 0.0995
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 0.8283 0.9098
Echinococcus multilocularis snurportin 1 0.0301 0.8283 0.8283
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0162 0.0178
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0906 1
Leishmania major hypothetical protein, conserved 0.0039 0.0906 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0162 0.0162
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.012 0.012
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0402 0.0442
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0039 0.0904 0.9977
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0162 0.0178
Entamoeba histolytica hypothetical protein 0.0043 0.1041 1
Entamoeba histolytica Ran family GTPase 0.0021 0.0402 0.2328
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0287 0.0315
Schistosoma mansoni hypothetical protein 0.0017 0.0287 0.0287
Echinococcus granulosus ring and YY1 binding protein 0.0039 0.0904 0.0904
Mycobacterium ulcerans lipase LipD 0.0039 0.0906 0.0188
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0162 0.0178
Onchocerca volvulus 0.0039 0.0906 0.1698
Brugia malayi pyruvate kinase 0.0007 0.0015 0.0016
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0748 0.7743
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0906 0.0262
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1165 0.1165
Loa Loa (eye worm) hypothetical protein 0.0039 0.0904 0.0993
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.4541 0.4871
Toxoplasma gondii pyruvate kinase PyKII 0.0017 0.0296 0.064
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0162 0.0162
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0748 0.1339
Leishmania major hypothetical protein, conserved 0.0039 0.0904 0.9977
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0906 0.0784
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0612 0.1788
Echinococcus granulosus pyruvate kinase 0.0033 0.0748 0.0748
Entamoeba histolytica hypothetical protein 0.0043 0.1041 1
Loa Loa (eye worm) brahma associated protein 0.0108 0.287 0.3153
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0162 0.0162
Schistosoma mansoni TRABID protein (C64 family) 0.0039 0.0904 0.0904
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0906 0.0784
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0462 0.0285
Echinococcus multilocularis zinc finger protein Ran binding 0.0039 0.0904 0.0904
Mycobacterium ulcerans beta-lactamase 0.0039 0.0906 0.0188
Schistosoma mansoni importin beta-1 0.0028 0.0612 0.0612
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.4541 0.4871
Brugia malayi SWIB/MDM2 domain containing protein 0.0108 0.287 0.3153
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0162 0.0162
Echinococcus multilocularis ring and YY1 binding protein 0.0039 0.0904 0.0904
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1165 0.1165
Plasmodium vivax importin-beta 2, putative 0.0028 0.0612 0.1226
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0402 0.0402
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0748 0.0822
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0906 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0039 0.0904 0.9977
Leishmania major hypothetical protein, conserved 0.0039 0.0904 0.9977
Brugia malayi beta-lactamase family protein 0.0039 0.0906 0.0995
Echinococcus granulosus bloom syndrome protein 0.0026 0.0548 0.0548
Loa Loa (eye worm) hypothetical protein 0.0039 0.0904 0.0993
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0108 0.287 0.3153
Schistosoma mansoni pyruvate kinase 0.0017 0.0296 0.0296
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0904 0.9977
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0748 0.0607
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0548 0.0382
Echinococcus multilocularis pyruvate kinase 0.0017 0.0296 0.0296
Brugia malayi steroid hormone receptor 0.0012 0.0162 0.0178
Plasmodium falciparum pyruvate kinase 2 0.0017 0.0296 0.064
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0748 0.1339
Echinococcus multilocularis pyruvate kinase 0.0017 0.0296 0.0296
Brugia malayi pyruvate kinase, muscle isozyme 0.0007 0.0015 0.0016
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0039 0.0904 0.9977
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0162 0.0162
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0247 0.6764 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0906 1
Schistosoma mansoni hypothetical protein 0.0039 0.0904 0.0904
Echinococcus granulosus Zinc finger RanBP2 type 0.0039 0.0904 0.0904
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0162 0.0162
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0018 0.0312 0.0063
Echinococcus granulosus pyruvate kinase 0.0033 0.0748 0.0748
Leishmania major pyruvate kinase 0.0033 0.0748 0.7743
Echinococcus granulosus zinc finger protein Ran binding 0.0039 0.0904 0.0904
Onchocerca volvulus 0.0039 0.0904 0.1695
Loa Loa (eye worm) hypothetical protein 0.0036 0.0831 0.0912
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.012 0.012
Brugia malayi nuclear receptor NHR-88 0.0012 0.0162 0.0178
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0612 0.5781
Loa Loa (eye worm) glutaminase 2 0.033 0.9104 1
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.7016 0.7653
Schistosoma mansoni glutaminase 0.033 0.9104 0.9104
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1165 0.1165
Echinococcus granulosus SWI:SNF matrix associated 0.0108 0.287 0.287
Echinococcus multilocularis SWI:SNF matrix associated 0.0108 0.287 0.287
Leishmania major GTP-binding protein, putative 0.0021 0.0402 0.2779
Leishmania major importin beta-1 subunit, putative 0.0023 0.0462 0.363
Plasmodium falciparum importin beta, putative 0.0028 0.0612 0.1788
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0402 0.0413
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0039 0.0904 0.9977
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0402 0.0402
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0162 0.0178
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1299 0.1427
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0162 0.0178
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0162 0.0162
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0402 0.2779
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.0039 0.0906 0.0995
Schistosoma mansoni hypothetical protein 0.0017 0.0287 0.0287
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1165 0.1165
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0748 0.7743
Loa Loa (eye worm) hypothetical protein 0.0131 0.3491 0.3835
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0906 0.0188
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0287 0.0315
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0162 0.0178
Brugia malayi glutaminase DH11.1 0.033 0.9104 1
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.7016 0.7653
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0467 0.0513
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.4541 0.4871
Mycobacterium tuberculosis Conserved protein 0.0039 0.0906 0.0262
Echinococcus granulosus pyruvate kinase 0.0017 0.0296 0.0296
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0906 0.0188
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1299 0.1427
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0162 0.0162
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.012 0.00000000049872
Loa Loa (eye worm) hypothetical protein 0.0053 0.1299 0.1427
Loa Loa (eye worm) hypothetical protein 0.0023 0.0467 0.0513
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.046 0.1236
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0162 0.0178
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0108 0.287 1
Schistosoma mansoni DNA helicase recq5 0.0011 0.012 0.012
Onchocerca volvulus 0.0039 0.0906 0.1698
Onchocerca volvulus 0.0039 0.0906 0.1698
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0748 0.0822
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0612 0.5781
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0402 0.2779
Chlamydia trachomatis DNA topoisomerase I 0.0108 0.287 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0039 0.0904 0.0993
Loa Loa (eye worm) hypothetical protein 0.0012 0.0162 0.0178
Loa Loa (eye worm) hypothetical protein 0.0039 0.0904 0.0993
Loa Loa (eye worm) hypothetical protein 0.0028 0.0612 0.0672
Leishmania major pyruvate kinase 0.0033 0.0748 0.7743
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0162 0.0162
Brugia malayi brahma associated protein 60 kDa 0.0108 0.287 0.3153
Leishmania major hypothetical protein, conserved 0.0039 0.0904 0.9977
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0748 0.0607
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0548 0.0548
Echinococcus multilocularis SWI:SNF matrix associated 0.0108 0.287 0.287
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0162 0.0162
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0162 0.0162
Mycobacterium ulcerans hypothetical protein 0.0039 0.0906 0.0188
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1165 0.1165
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0906 0.0995
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0039 0.0904 0.0904
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0108 0.287 0.287
Echinococcus granulosus GPCR family 2 0.0017 0.0287 0.0287
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0612 0.0612
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.287 0.2992
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0906 0.0262
Brugia malayi RNA, U transporter 1 0.008 0.2073 0.2277
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0039 0.0904 0.2852
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.012 0.012
Mycobacterium leprae Probable lipase LipE 0.0039 0.0906 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0402 0.1027
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0306 0.0677
Schistosoma mansoni DNA helicase recq1 0.0011 0.012 0.012
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0904 0.9977
Toxoplasma gondii ran binding protein 0.0039 0.0904 0.2852
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.7016 0.7653
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0162 0.0178
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0748 0.0822
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.012 0.012
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0548 0.0602
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.001 0.01 0.011
Loa Loa (eye worm) hypothetical protein 0.0033 0.0748 0.0822
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0162 0.0162
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0039 0.0904 0.0993
Schistosoma mansoni hypothetical protein 0.0301 0.8283 0.8283
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0906 0.0906
Brugia malayi YY1-associated factor 2 0.0039 0.0904 0.0993
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0039 0.0904 0.9977
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0906 0.0784
Brugia malayi beta-lactamase 0.0039 0.0906 0.0995
Schistosoma mansoni hypothetical protein 0.0108 0.287 0.287
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0748 0.1758
Leishmania major hypothetical protein, conserved 0.0039 0.0904 0.9977
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0287 0.0315
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0906 0.0262
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0039 0.0904 0.9977
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0162 0.0162
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.4541 0.4871
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0162 0.0178
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0256 0.7016 0.7707
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1041 0.1041
Onchocerca volvulus Glucosylceramidase homolog 0.0168 0.4541 1
Giardia lamblia Pyruvate kinase 0.0033 0.0748 1
Schistosoma mansoni pyruvate kinase 0.0033 0.0748 0.0748
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.7016 0.7653
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0904 0.9977
Trichomonas vaginalis ran, putative 0.0021 0.0402 0.0218
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0162 0.0162
Schistosoma mansoni hypothetical protein 0.0036 0.0831 0.0831
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0748 0.2285
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.7016 0.7653
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0039 0.0904 0.0904
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0162 0.0178
Plasmodium vivax hypothetical protein, conserved 0.0108 0.287 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0162 0.0178
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0748 0.0822
Schistosoma mansoni RNA binding protein 0.0039 0.0904 0.0904
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0548 0.0382
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0906 0.2369
Echinococcus multilocularis pyruvate kinase 0.0033 0.0748 0.0748
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0287 0.0287
Trichomonas vaginalis glutaminase, putative 0.033 0.9104 1
Trichomonas vaginalis glucosylceramidase, putative 0.0256 0.7016 0.7653
Echinococcus multilocularis pyruvate kinase 0.0026 0.0552 0.0552
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0462 0.363
Entamoeba histolytica hypothetical protein 0.0043 0.1041 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0039 0.0904 0.0993
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0108 0.287 0.287
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0108 0.287 1
Brugia malayi nuclear hormone receptor 0.0012 0.0162 0.0178
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0162 0.0178
Mycobacterium tuberculosis Conserved protein 0.0039 0.0906 0.0262
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0467 0.3108
Loa Loa (eye worm) hypothetical protein 0.0039 0.0904 0.0993
Trypanosoma cruzi WLM domain containing protein, putative 0.0039 0.0904 0.9977
Schistosoma mansoni hypothetical protein 0.0108 0.287 0.287
Echinococcus multilocularis GPCR, family 2 0.0017 0.0287 0.0287
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1041 0.1041
Brugia malayi ecdysteroid receptor 0.0012 0.0162 0.0178
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0906 0.0784
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0162 0.0178
Echinococcus granulosus pyruvate kinase 0.0017 0.0296 0.0296
Brugia malayi hypothetical protein 0.0043 0.1041 0.1143
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0748 0.7743
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0395 0.0395
Plasmodium falciparum pyruvate kinase 0.0033 0.0748 0.2285
Mycobacterium ulcerans glutaminase 0.033 0.9104 1
Trichomonas vaginalis esterase, putative 0.0039 0.0906 0.0784
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0039 0.0904 0.1695
Schistosoma mansoni zinc finger protein 0.0039 0.0904 0.0904
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0039 0.0904 0.2852
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0904 0.9977
Onchocerca volvulus 0.0039 0.0904 0.1695
Entamoeba histolytica hypothetical protein 0.0023 0.0462 0.3042
Loa Loa (eye worm) hypothetical protein 0.0039 0.0906 0.0995
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.4795 0.5157
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0162 0.0178
Loa Loa (eye worm) hypothetical protein 0.0039 0.0906 0.0995
Giardia lamblia Pyruvate kinase 0.0017 0.0296 0.2801
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0906 0.0906
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.012 0.0132
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0039 0.0904 0.0993
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0108 0.287 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0162 0.0178
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0162 0.0162
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0162 0.0162
Schistosoma mansoni hypothetical protein 0.0043 0.1041 0.1041
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0287 0.0287
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0906 0.0262
Echinococcus granulosus pyruvate kinase 0.0017 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.0012 0.0162 0.0178
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0162 0.0162
Mycobacterium tuberculosis Conserved protein 0.0039 0.0906 0.0262
Loa Loa (eye worm) beta-lactamase 0.0039 0.0906 0.0995
Loa Loa (eye worm) hypothetical protein 0.0011 0.012 0.0132
Schistosoma mansoni hypothetical protein 0.0108 0.287 0.287
Trichomonas vaginalis glucosylceramidase, putative 0.0168 0.4541 0.4871
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0162 0.0178
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0748 0.7743
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0162 0.0162
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0162 0.0162
Schistosoma mansoni hypothetical protein 0.0017 0.0287 0.0287
Brugia malayi Importin beta-1 subunit 0.0028 0.0612 0.0672
Loa Loa (eye worm) hypothetical protein 0.0012 0.0162 0.0178
Echinococcus granulosus snurportin 1 0.0301 0.8283 0.8283
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0748 0.0822
Loa Loa (eye worm) glutaminase 0.033 0.9104 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0162 0.0178
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1165 0.1165
Loa Loa (eye worm) hypothetical protein 0.0039 0.0906 0.0995
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0906 0.0906
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.1165 0.1279
Schistosoma mansoni ran 0.0021 0.0402 0.0402
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0162 0.0162
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0906 0.0784
Brugia malayi brahma associated protein 60 kDa 0.0108 0.287 0.3153
Schistosoma mansoni fusion 0.0039 0.0904 0.0904
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0906 0.0262
Chlamydia trachomatis SWIB complex protein 0.0108 0.287 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0162 0.0178
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0108 0.287 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0162 0.0178
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0748 0.1339
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0906 1
Loa Loa (eye worm) RecQ helicase 0.0026 0.0548 0.0602
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0256 0.7016 0.7707
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0831 0.0912
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0462 0.0285
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0287 0.0287

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 67.0158 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.