Detailed information for compound 1551862

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 532.013 | Formula: C27H22ClN5O3S
  • H donors: 0 H acceptors: 6 LogP: 2.88 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC1=C2[C@H](c3ccccc3Cl)N(C[C@H]2C(C(C1)(C#N)C#N)(C#N)C#N)S(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C27H22ClN5O3S/c1-3-36-23-12-26(14-29,15-30)27(16-31,17-32)21-13-33(37(34,35)19-10-8-18(2)9-11-19)25(24(21)23)20-6-4-5-7-22(20)28/h4-11,21,25H,3,12-13H2,1-2H3/t21-,25+/m1/s1
  • InChiKey: KIZXBEIYCACNQS-BWKNWUBXSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glutaminase 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 2 Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi 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
Schistosoma mansoni glutaminase 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
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA 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

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis smad 0.001 0.0063 0.0063
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0048 0.0125
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1629 0.4291
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0516 0.1359
Echinococcus granulosus cathepsin l cysteine peptidase 0.0008 0.0048 0.0147
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Echinococcus granulosus cathepsin L 0.0008 0.0048 0.0147
Brugia malayi nuclear hormone receptor 0.0005 0.0003 0.0008
Onchocerca volvulus 0.0008 0.0048 0.1563
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0841 0.2214
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0064 0.0168
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0008 0.0048 0.5
Brugia malayi orphan nuclear receptor NR2E1 0.0005 0.0003 0.0008
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0063 0.0195
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0008 0.0048 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.001 0.0025
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0037 0.0115
Brugia malayi Cathepsin L-like precursor 0.0008 0.0048 0.0125
Entamoeba histolytica cysteine proteinase, putative 0.0008 0.0048 0.5
Onchocerca volvulus 0.0008 0.0048 0.1563
Echinococcus multilocularis cpg binding protein 0.0032 0.0325 0.0325
Trypanosoma brucei cysteine peptidase C (CPC) 0.0093 0.1036 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0064 0.0168
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0037 0.0115
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0048 0.0048
Brugia malayi Papain family cysteine protease containing protein 0.0008 0.0048 0.0125
Echinococcus granulosus cysteine protease 0.0008 0.0048 0.0147
Plasmodium vivax vivapain-1 0.0008 0.0048 0.5
Schistosoma mansoni nuclear receptor 0.0005 0.0003 0.0008
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.001 0.0026
Onchocerca volvulus 0.0008 0.0048 0.1563
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0841 0.2214
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0008 0.0048 0.0048
Brugia malayi hypothetical protein 0.0005 0.001 0.0025
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0182
Loa Loa (eye worm) hypothetical protein 0.001 0.0064 0.0168
Echinococcus granulosus cathepsin l1 0.0008 0.0048 0.0147
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0064 0.0168
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0005 0.0003 0.0008
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Brugia malayi tailless protein 0.0005 0.0003 0.0008
Loa Loa (eye worm) hypothetical protein 0.0005 0.0012 0.0032
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0008 0.0048 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0008 0.0048 0.0048
Onchocerca volvulus 0.0008 0.0048 0.1563
Brugia malayi CXXC zinc finger family protein 0.0031 0.0305 0.0803
Plasmodium falciparum serine repeat antigen 2 0.0008 0.0048 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0064 0.0168
Entamoeba histolytica cysteine proteinase, putative 0.0008 0.0048 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0516 0.1591
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0064 0.0168
Entamoeba histolytica cysteine proteinase, putative 0.0008 0.0048 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0064 0.0197
Brugia malayi MH1 domain containing protein 0.001 0.0063 0.0167
Brugia malayi nuclear receptor RXR 0.0005 0.001 0.0025
Brugia malayi cathepsin Z-like cysteine proteinase 0.0008 0.0048 0.0125
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0064 0.0197
Brugia malayi Cathepsin L-like precursor 0.0008 0.0048 0.0125
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0064 0.0197
Schistosoma mansoni cathepsin F (C01 family) 0.0008 0.0048 0.0126
Plasmodium vivax unspecified product 0.0008 0.0048 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0841 0.2214
Brugia malayi cathepsin L-like cysteine proteinase 0.0008 0.0048 0.0125
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0008 0.0048 0.0048
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0005 0.0003 0.0008
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0059
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0008 0.0048 0.0048
Plasmodium vivax unspecified product 0.0008 0.0048 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0008 0.0048 0.0125
Echinococcus multilocularis cathepsin b 0.0283 0.3242 0.3242
Giardia lamblia Cathepsin B precursor 0.0093 0.1036 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0008
Echinococcus multilocularis cysteine protease 0.0008 0.0048 0.0048
Brugia malayi Papain family cysteine protease containing protein 0.0008 0.0048 0.0125
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0064 0.0168
Loa Loa (eye worm) hypothetical protein 0.0005 0.001 0.0025
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Mycobacterium ulcerans glutaminase 0.033 0.3797 0.5
Loa Loa (eye worm) nuclear factor I 0.0005 0.0012 0.0032
Loa Loa (eye worm) hypothetical protein 0.0005 0.001 0.0025
Schistosoma mansoni cathepsin F (C01 family) 0.0008 0.0048 0.0126
Schistosoma mansoni glutaminase 0.033 0.3797 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0064 0.0064
Brugia malayi MH1 domain containing protein 0.0005 0.0012 0.0032
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0064 0.0168
Brugia malayi MH2 domain containing protein 0.0144 0.1629 0.4291
Entamoeba histolytica cysteine proteinase, putative 0.0008 0.0048 0.5
Brugia malayi RNA binding protein 0.0076 0.0841 0.2214
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0623 0.5826
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0008 0.0048 0.0126
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0093 0.1036 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0063 0.0167
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0008 0.0048 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0064 0.0168
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0841 0.2214
Brugia malayi nuclear receptor NHR-88 0.001 0.0064 0.0168
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0516 0.0516
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0008
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0008
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0283 0.3242 0.854
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0005 0.0003 0.01
Echinococcus granulosus Smad4 0.001 0.0063 0.0195
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0093 0.1036 0.3093
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0008 0.0048 0.0048
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0008 0.0048 0.0126
Brugia malayi nuclear hormone receptor 0.001 0.0064 0.0168
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0064 0.0168
Schistosoma mansoni cathepsin F (C01 family) 0.0008 0.0048 0.0126
Brugia malayi fibroinase precursor 0.0008 0.0048 0.0125
Loa Loa (eye worm) hypothetical protein 0.0008 0.0048 0.0125
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0008
Plasmodium falciparum cysteine proteinase falcipain 1 0.0008 0.0048 0.5
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0008 0.0048 0.5
Giardia lamblia Cathepsin B precursor 0.0093 0.1036 1
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.001 0.0025
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0008 0.0048 0.5
Brugia malayi Nuclear hormone receptor E75 0.0005 0.0003 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0064 0.0168
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.001 0.0025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0064 0.0168
Brugia malayi hypothetical protein 0.0005 0.001 0.0025
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0005 0.0003 0.0003
Echinococcus granulosus thyroid hormone receptor alpha 0.0005 0.0003 0.0009
Loa Loa (eye worm) hypothetical protein 0.001 0.0064 0.0168
Echinococcus multilocularis cathepsin L 0.0008 0.0048 0.0048
Echinococcus granulosus nuclear receptor nhr 48 0.0005 0.0003 0.0009
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0064 0.0197
Schistosoma mansoni cathepsin B (C01 family) 0.0008 0.0048 0.0126
Plasmodium falciparum cysteine proteinase falcipain 3 0.0008 0.0048 0.5
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0063 0.0063
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0008 0.0048 0.0125
Onchocerca volvulus Cathepsin L homolog 0.0008 0.0048 0.1563
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0064 0.0064
Entamoeba histolytica cysteine proteinase 2 0.0008 0.0048 0.5
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0005 0.0003 0.0003
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0008 0.0048 0.0048
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0008 0.0048 0.0048
Plasmodium vivax serine-repeat antigen (SERA) 0.0008 0.0048 0.5
Onchocerca volvulus 0.0005 0.0003 0.01
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0005 0.0003 0.0008
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0008 0.0048 0.0048
Entamoeba histolytica hypothetical protein 0.0008 0.0048 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.001 0.0025
Echinococcus multilocularis nuclear receptor nhr 48 0.0005 0.0003 0.0003
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.001 0.001
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0064 0.0168
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0064 0.0064
Echinococcus multilocularis cathepsin L 0.0008 0.0048 0.0048
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0064 0.0064
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0064 0.0168
Plasmodium falciparum serine repeat antigen 6 0.0008 0.0048 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0283 0.3242 0.854
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0008 0.0048 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 0.0841 0.2592
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0064 0.0168
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0003 0.0008
Echinococcus granulosus Nuclear hormone receptor HR96 0.0005 0.0003 0.0009
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0064 0.2093
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0064 0.0168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0008 0.0048 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0005 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.001 0.0064 0.0168
Plasmodium falciparum serine repeat antigen 9 0.0008 0.0048 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Plasmodium falciparum serine repeat antigen 4 0.0008 0.0048 0.5
Brugia malayi cathepsin F-like cysteine proteinase 0.0008 0.0048 0.0125
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0516 0.1591
Plasmodium falciparum serine repeat antigen 1 0.0008 0.0048 0.5
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0003 0.0008
Brugia malayi Cathepsin L-like precursor 0.0008 0.0048 0.0125
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0008 0.0048 0.0126
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0008 0.0048 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0008 0.0048 0.0126
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0008 0.0048 0.5
Loa Loa (eye worm) cysteine protease 0.0008 0.0048 0.0125
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0005 0.0003 0.0009
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0008 0.0048 0.0048
Onchocerca volvulus 0.0008 0.0048 0.1563
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0841 0.2214
Loa Loa (eye worm) hypothetical protein 0.0005 0.001 0.0025
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0005 0.0003 0.01
Plasmodium falciparum serine repeat antigen 7 0.0008 0.0048 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.001 0.0026
Entamoeba histolytica cysteine proteinase, putative 0.0008 0.0048 0.5
Trichomonas vaginalis glutaminase, putative 0.033 0.3797 1
Schistosoma mansoni cathepsin S (C01 family) 0.0008 0.0048 0.0126
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0064 0.0168
Schistosoma mansoni nuclear receptor nhr-48 0.0005 0.0003 0.0008
Brugia malayi hypothetical protein 0.0005 0.0003 0.0008
Brugia malayi steroid hormone receptor 0.001 0.0064 0.0168
Entamoeba histolytica cysteine proteinase 1, putative 0.0008 0.0048 0.5
Brugia malayi Cathepsin L-like precursor 0.0008 0.0048 0.0125
Loa Loa (eye worm) hypothetical protein 0.0008 0.0048 0.0125
Loa Loa (eye worm) hypothetical protein 0.0008 0.0048 0.0125
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0064 0.0168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Onchocerca volvulus 0.0008 0.0048 0.1563
Plasmodium falciparum serine repeat antigen 5 0.0008 0.0048 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.001 0.0025
Schistosoma mansoni smad1 5 8 and 0.001 0.0063 0.0167
Schistosoma mansoni smad1 5 8 and 0.001 0.0063 0.0167
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0516 0.1359
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0283 0.3242 0.854
Brugia malayi TAR-binding protein 0.0076 0.0841 0.2214
Schistosoma mansoni zinc finger protein 0.0005 0.0003 0.0008
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0008 0.0048 0.0048
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0008 0.0048 0.0125
Brugia malayi MH1 domain containing protein 0.001 0.0063 0.0167
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0064 0.0168
Brugia malayi Papain family cysteine protease containing protein 0.0008 0.0048 0.0125
Plasmodium vivax vivapain-3 0.0008 0.0048 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0008 0.0048 0.0048
Schistosoma mansoni nuclear receptor 0.0005 0.0003 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0064 0.0168
Echinococcus granulosus cathepsin L cysteine protease 0.0008 0.0048 0.0147
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0841 0.2214
Echinococcus granulosus cathepsin l1 0.0008 0.0048 0.0147
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0008 0.0048 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0064 0.0168
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0008 0.0048 0.0048
Schistosoma mansoni cathepsin C 0.0008 0.0048 0.0126
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0008 0.0048 0.0126
Loa Loa (eye worm) ctsf protein 0.0008 0.0048 0.0125
Giardia lamblia Cathepsin B precursor 0.0093 0.1036 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0008 0.0048 0.0048
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0008 0.0048 0.0126
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0008 0.0048 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0008
Loa Loa (eye worm) nuclear receptor NHR-67 0.0005 0.0003 0.0008
Brugia malayi Papain family cysteine protease containing protein 0.0008 0.0048 0.0125
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0064 0.0064
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0064 0.0064
Echinococcus granulosus cathepsin L 0.0008 0.0048 0.0147
Loa Loa (eye worm) hypothetical protein 0.0008 0.0048 0.0125
Schistosoma mansoni thyroid hormone receptor 0.001 0.0064 0.0168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0008 0.0048 0.0126
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0048 0.0048
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0063 0.0167
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0064 0.0168
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0064 0.0168
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0704 0.1854
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0008 0.0048 0.0048
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0064 0.0168
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0008 0.0048 0.0126
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0064 0.0168
Loa Loa (eye worm) hypothetical protein 0.001 0.0064 0.0168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0064 0.0197
Loa Loa (eye worm) RNA binding protein 0.0076 0.0841 0.2214
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0008 0.0048 0.0126
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0841 0.2214
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0516 0.0516
Onchocerca volvulus 0.001 0.0064 0.2093
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0008
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1629 0.4291
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.001 0.0064 0.0168
Onchocerca volvulus Cathepsin L homolog 0.0008 0.0048 0.1563
Onchocerca volvulus 0.0005 0.0003 0.01
Loa Loa (eye worm) hypothetical protein 0.0008 0.0048 0.0125
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0064 0.0197
Schistosoma mansoni cpg binding protein 0.0032 0.0325 0.0857
Loa Loa (eye worm) DR-78 0.0005 0.0003 0.0008
Loa Loa (eye worm) hypothetical protein 0.0008 0.0048 0.0125
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0093 0.1036 0.2671
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0008 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0008
Onchocerca volvulus Cathepsin F homolog 0.0008 0.0048 0.1563
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0008 0.0048 0.0048
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0005 0.0003 0.0003
Brugia malayi glutaminase DH11.1 0.033 0.3797 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0008 0.0048 0.0125
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0008 0.0048 0.0125
Echinococcus granulosus FTZ F1 alpha 0.001 0.0064 0.0197
Loa Loa (eye worm) glutaminase 0.033 0.3797 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0064 0.0168
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0064 0.0168
Brugia malayi Cathepsin L-like precursor 0.0008 0.0048 0.0125
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0008 0.0048 0.0126
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Brugia malayi ecdysone receptor 0.0005 0.0003 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0064 0.0168
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0008 0.0048 0.0048
Brugia malayi Smad1 0.001 0.0063 0.0167
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0064 0.0168
Brugia malayi cathepsin L-like precursor 0.0008 0.0048 0.0125
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0008
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.001 0.003
Brugia malayi Papain family cysteine protease containing protein 0.0008 0.0048 0.0125
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0059 0.0155
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0064 0.0168
Echinococcus multilocularis cysteine protease 0.0008 0.0048 0.0048
Echinococcus multilocularis cathepsin b 0.0283 0.3242 0.3242
Brugia malayi MH2 domain containing protein 0.001 0.0063 0.0167
Brugia malayi nuclear receptor NHR-67 0.0005 0.0003 0.0008
Schistosoma mansoni cpg binding protein 0.0031 0.0305 0.0803
Brugia malayi ecdysteroid receptor 0.001 0.0064 0.0168
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0283 0.3242 0.854
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0008
Echinococcus granulosus Nuclear hormone receptor HR96 0.0005 0.0003 0.0009
Plasmodium falciparum serine repeat antigen 3 0.0008 0.0048 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0841 0.2214
Brugia malayi cathepsin L precursor 0.0008 0.0048 0.0125
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0841 0.084
Echinococcus multilocularis cathepsin L cysteine protease 0.0008 0.0048 0.0048
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0063 0.0195
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0064 0.0197
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0305 0.0803
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0064 0.0168
Plasmodium vivax vivapain-2 0.0008 0.0048 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0008 0.0048 0.0048
Echinococcus granulosus cathepsin L cysteine proteinase 0.0008 0.0048 0.0147
Onchocerca volvulus 0.0008 0.0048 0.1563
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0516 0.1359
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0516 0.1359
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0037 0.0098
Toxoplasma gondii cathepsin B 0.0093 0.1036 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0008 0.0048 0.0125
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0064 0.0197
Brugia malayi cathepsin Z-like cysteine proteinase 0.0008 0.0048 0.0125
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0008 0.0048 0.0048
Brugia malayi cathepsin B-like cysteine proteinase 0.0283 0.3242 0.854
Echinococcus granulosus smad 0.001 0.0063 0.0195
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0008 0.0048 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Schistosoma mansoni nuclear hormone receptor 0.001 0.0064 0.0168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0008 0.0048 0.0125
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Entamoeba histolytica cysteine proteinase, putative 0.0008 0.0048 0.5
Brugia malayi nuclear receptor RXR 0.0005 0.0003 0.0008
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0064 0.0168
Brugia malayi MH1 domain containing protein 0.0005 0.0012 0.0032
Onchocerca volvulus Cathepsin L homolog 0.0008 0.0048 0.1563
Loa Loa (eye worm) nuclear hormone receptor 0.0005 0.0003 0.0008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0064 0.0168
Brugia malayi Cathepsin L-like precursor 0.0008 0.0048 0.0125
Schistosoma mansoni smad 0.001 0.0063 0.0167
Brugia malayi conserved hypotetical protein 0.0005 0.0003 0.0008
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0064 0.2093
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0008 0.0048 0.5
Echinococcus granulosus cathepsin b 0.0283 0.3242 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0008 0.0048 0.0125
Loa Loa (eye worm) hypothetical protein 0.0008 0.0048 0.0125
Brugia malayi hypothetical protein 0.0005 0.0003 0.0008
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0008 0.0048 0.0048
Brugia malayi MH2 domain containing protein 0.001 0.0063 0.0167
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0005 0.0003 0.0003
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0008 0.0048 0.0126
Onchocerca volvulus 0.0008 0.0048 0.1563
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0008 0.0048 0.5
Loa Loa (eye worm) Smad1 0.001 0.0063 0.0167
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Brugia malayi nuclear hormone receptor family member nhr-6 0.0005 0.0003 0.0008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0516 0.1359
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0008
Schistosoma mansoni coup transcription factor 0.001 0.0064 0.0168
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0008 0.0048 0.0048
Schistosoma mansoni Smad4 0.001 0.0063 0.0167
Loa Loa (eye worm) hypothetical protein 0.0008 0.0048 0.0125
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0008 0.0048 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0063 0.0167
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0008
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Echinococcus multilocularis Smad4 0.001 0.0063 0.0063
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0093 0.1036 0.2728
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0005 0.0003 0.0009
Loa Loa (eye worm) glutaminase 2 0.033 0.3797 1
Brugia malayi Papain family cysteine protease containing protein 0.0008 0.0048 0.0125
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0008 0.0048 0.0126
Brugia malayi nuclear receptor NHR-88 0.0005 0.0003 0.0008
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0064 0.0168
Schistosoma mansoni thyroid hormone receptor 0.001 0.0064 0.0168
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0005 0.0003 0.0008
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Echinococcus granulosus cpg binding protein 0.0032 0.0325 0.1003
Loa Loa (eye worm) hypothetical protein 0.001 0.0064 0.0168
Echinococcus multilocularis cathepsin L cysteine protease 0.0008 0.0048 0.0048
Brugia malayi Nuclear hormone receptor E75 0.0005 0.0003 0.0008
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0063 0.0167
Loa Loa (eye worm) cathepsin B 0.0093 0.1036 0.2728
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0008 0.0048 0.0048
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0064 0.2093
Brugia malayi Cathepsin L-like precursor 0.0008 0.0048 0.0125
Entamoeba histolytica cysteine proteinase, putative 0.0008 0.0048 0.5
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0037 0.0037
Onchocerca volvulus 0.0008 0.0048 0.1563
Echinococcus granulosus cathepsin b 0.0283 0.3242 1
Onchocerca volvulus 0.0031 0.0305 1
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.001 0.0064 0.0168
Brugia malayi Cathepsin L-like precursor 0.0008 0.0048 0.0125
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0058 0.0152
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Plasmodium vivax serine-repeat antigen (SERA) 0.0008 0.0048 0.5
Plasmodium vivax vivapain-2 0.0008 0.0048 0.5
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0063 0.0063
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0283 0.3242 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0003 0.0008
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0064 0.0168
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0008 0.0048 0.5
Loa Loa (eye worm) hypothetical protein 0.0283 0.3242 0.854
Loa Loa (eye worm) fibroinase 0.0008 0.0048 0.0125
Brugia malayi nuclear hormone receptor family member odr-7 0.0005 0.0003 0.0008
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0008 0.0048 0.0048
Plasmodium falciparum serine repeat antigen 8 0.0008 0.0048 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0008 0.0048 0.0048
Entamoeba histolytica cysteine protease, putative 0.0008 0.0048 0.5
Schistosoma mansoni cpg binding protein 0.0032 0.0325 0.0857
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0008 0.0048 0.0048

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 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) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6795 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
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 70.7946 uM PubChem BioAssay. qHTS of PTHR Inhibitors: 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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