Detailed information for compound 1987711

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 430.564 | Formula: C22H30N4O3S
  • H donors: 2 H acceptors: 4 LogP: 1.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C[C@H](Cc1ccc(cc1)C1CCN(CC1)S(=O)(=O)C)NC(=O)[C@H]1N[C@H]2C[C@@H]1CC2
  • InChi: 1S/C22H30N4O3S/c1-30(28,29)26-10-8-17(9-11-26)16-4-2-15(3-5-16)12-20(14-23)25-22(27)21-18-6-7-19(13-18)24-21/h2-5,17-21,24H,6-13H2,1H3,(H,25,27)/t18-,19+,20-,21-/m0/s1
  • InChiKey: FYUNYGAIIUJKMJ-WOZUAGRISA-N  


Substructure search Similarity search

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 cathepsin C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii cathepsin c precursor Get druggable targets OG5_130494 All targets in OG5_130494
Giardia lamblia Dipeptidyl-peptidase I precursor Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium yoelii Homo sapiens P3ECSL-related Get druggable targets OG5_130494 All targets in OG5_130494
Cryptosporidium parvum preprocathepsin c precursor, putative Get druggable targets OG5_130494 All targets in OG5_130494
Toxoplasma gondii preprocathepsin c precursor, putative Get druggable targets OG5_130494 All targets in OG5_130494
Toxoplasma gondii cathepsin CPC1 Get druggable targets OG5_130494 All targets in OG5_130494
Neospora caninum hypothetical protein Get druggable targets OG5_130494 All targets in OG5_130494
Babesia bovis cathepsin C precursor, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium knowlesi dipeptidyl aminopeptidase 1, putative Get druggable targets OG5_130494 All targets in OG5_130494
Schistosoma japonicum ko:K01275 cathepsin C [EC3.4.14.1], putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium falciparum dipeptidyl aminopeptidase 2 Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium falciparum dipeptidyl aminopeptidase 1 Get druggable targets OG5_130494 All targets in OG5_130494
Schistosoma japonicum Cathepsin C precursor, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium knowlesi dipeptidyl aminopeptidase 2, putative Get druggable targets OG5_130494 All targets in OG5_130494
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) Get druggable targets OG5_130494 All targets in OG5_130494
Babesia bovis preprocathepsin c precursor, putative Get druggable targets OG5_130494 All targets in OG5_130494
Cryptosporidium hominis preprocathepsin c precursor Get druggable targets OG5_130494 All targets in OG5_130494
Theileria parva cathepsin C, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium vivax dipeptidyl aminopeptidase 1, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium vivax dipeptidyl aminopeptidase 2, putative Get druggable targets OG5_130494 All targets in OG5_130494
Theileria parva cathepsin C, putative Get druggable targets OG5_130494 All targets in OG5_130494
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium berghei dipeptidyl aminopeptidase 1, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium berghei dipeptidyl aminopeptidase 2 Get druggable targets OG5_130494 All targets in OG5_130494
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium vivax dipeptidyl aminopeptidase 3, putative cathepsin C 141 aa 152 aa 22.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus growth factor receptor bound protein 2 0.0002 0.0039 0.0796
Loa Loa (eye worm) TK protein kinase 0.001 0.0395 0.1086
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0395 0.8882
Schistosoma mansoni nuclear hormone receptor 0.0003 0.0052 0.0048
Brugia malayi ecdysteroid receptor 0.0005 0.0177 0.0479
Brugia malayi glutaminase DH11.1 0.0084 0.3599 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0005 0.0177 0.3919
Brugia malayi ecdysone receptor 0.0003 0.0052 0.0131
Schistosoma mansoni tyrosine kinase 0.0012 0.0444 0.0441
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0005 0.0177 0.0479
Trichomonas vaginalis glutaminase, putative 0.0084 0.3599 0.5758
Schistosoma mansoni coup transcription factor 0.0005 0.0177 0.0174
Loa Loa (eye worm) hypothetical protein 0.0005 0.0177 0.0479
Echinococcus multilocularis ecdysone induced protein 78C 0.0005 0.0177 0.3919
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0005 0.0177 0.3919
Schistosoma mansoni nuclear hormone receptor 0.0003 0.0052 0.0048
Echinococcus granulosus tyrosine protein kinase Src42A 0.001 0.0381 0.856
Echinococcus multilocularis tyrosine protein kinase shark 0.0001 0.0004 0.00000038088
Echinococcus granulosus tyrosine protein kinase HCK 0.0009 0.0344 0.7735
Loa Loa (eye worm) hypothetical protein 0.0003 0.0052 0.0131
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0012 0.0444 1
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.023 1 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0009 0.0325 0.729
Onchocerca volvulus 0.0003 0.0052 0.0152
Schistosoma mansoni tyrosine kinase 0.0003 0.0054 0.005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0005 0.0177 0.0479
Echinococcus granulosus thyroid hormone receptor alpha 0.0003 0.0052 0.1073
Toxoplasma gondii preprocathepsin c precursor, putative 0.023 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0003 0.0052 0.0131
Schistosoma mansoni nuclear receptor 0.0003 0.0052 0.0048
Loa Loa (eye worm) DR-78 0.0003 0.0052 0.0131
Echinococcus granulosus c src tyrosine kinase 0.0003 0.0054 0.1118
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0087 0.3757 0.3673
Loa Loa (eye worm) hypothetical protein 0.0005 0.0177 0.0479
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0005 0.0177 0.0479
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0005 0.0177 0.0479
Echinococcus multilocularis thyroid hormone receptor alpha 0.0005 0.0177 0.3919
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0005 0.0177 0.0479
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0087 0.3757 0.3721
Echinococcus granulosus tyrosine protein kinase Fyn 0.0012 0.0444 1
Loa Loa (eye worm) SRC-1 0.0012 0.0444 0.1222
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0009 0.0339 0.0336
Loa Loa (eye worm) hypothetical protein 0.0003 0.0052 0.0131
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0005 0.0177 0.3919
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0003 0.0052 0.1073
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0009 0.0339 0.0336
Loa Loa (eye worm) hypothetical protein 0.0005 0.0177 0.0479
Entamoeba histolytica recQ family helicase, putative 0.0003 0.0092 0.2686
Loa Loa (eye worm) hypothetical protein 0.0005 0.0168 0.0454
Loa Loa (eye worm) nuclear receptor NHR-67 0.0003 0.0052 0.0131
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0003 0.0058 0.1215
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0003 0.0058 0.0148
Brugia malayi Variant SH3 domain containing protein 0.0002 0.0039 0.0097
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0012 0.0444 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0012 0.0444 1
Echinococcus granulosus tyrosine kinase 0.001 0.0395 0.8882
Echinococcus granulosus tyrosine protein kinase shark 0.0001 0.0004 0.00000038088
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0001 0.0004 0.0129
Brugia malayi Nuclear hormone receptor E75 0.0003 0.0052 0.0131
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.023 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0012 0.0444 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0005 0.0177 0.3919
Brugia malayi hypothetical protein 0.0003 0.0052 0.0131
Schistosoma mansoni tyrosine kinase 0.0001 0.0004 0.0001
Loa Loa (eye worm) hypothetical protein 0.0003 0.0052 0.0131
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0003 0.0052 0.1073
Loa Loa (eye worm) hypothetical protein 0.0005 0.0177 0.0479
Echinococcus granulosus Nuclear hormone receptor HR96 0.0003 0.0052 0.1073
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0143 0.6183 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0012 0.0444 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0005 0.0177 0.0479
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0003 0.0058 0.1215
Echinococcus multilocularis growth factor receptor bound protein 2 0.0002 0.0039 0.0796
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0002 0.0039 0.0097
Brugia malayi hypothetical protein 0.0038 0.158 0.4383
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0005 0.0177 0.3919
Schistosoma mansoni tyrosine kinase 0.0012 0.0444 0.0441
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.023 1 1
Loa Loa (eye worm) hypothetical protein 0.0003 0.0052 0.0131
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0004 0.0131 0.0131
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0009 0.0339 0.0336
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0005 0.0177 0.0479
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0005 0.0177 0.0479
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0003 0.0052 0.0152
Onchocerca volvulus 0.0003 0.0052 0.0152
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0012 0.0444 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0003 0.0065 0.1378
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0003 0.0058 0.0148
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0005 0.0177 0.3919
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0005 0.0177 0.0479
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0064 0.2726 0.7571
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0005 0.0177 0.0479
Schistosoma mansoni growth factor receptor-bound protein 0.0002 0.0039 0.0036
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0005 0.0177 0.0174
Loa Loa (eye worm) hypothetical protein 0.0003 0.0065 0.0168
Brugia malayi hypothetical protein 0.0003 0.0065 0.0168
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0003 0.0052 0.1073
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0005 0.0177 0.3919
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0003 0.0065 0.0062
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0005 0.0177 0.3919
Schistosoma mansoni tyrosine kinase 0.0003 0.0054 0.005
Brugia malayi nuclear hormone receptor family member odr-7 0.0003 0.0052 0.0131
Loa Loa (eye worm) hypothetical protein 0.0005 0.0177 0.0479
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0005 0.0177 0.0479
Toxoplasma gondii cathepsin CPC2 0.0087 0.3757 0.3757
Loa Loa (eye worm) glutaminase 0.0084 0.3599 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0009 0.0339 0.0339
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0003 0.0052 0.0131
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0005 0.0177 0.3919
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0003 0.0092 0.5
Schistosoma mansoni nuclear receptor nhr-48 0.0003 0.0052 0.0048
Echinococcus granulosus tyrosine protein kinase Src42A 0.0012 0.0444 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0003 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0003 0.0052 0.0131
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0003 0.0052 0.1073
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0012 0.0444 1
Loa Loa (eye worm) glutaminase 2 0.0084 0.3599 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0177 0.0479
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0005 0.0177 0.0479
Echinococcus multilocularis nuclear receptor nhr 48 0.0003 0.0052 0.1073
Loa Loa (eye worm) hypothetical protein 0.0003 0.0065 0.0168
Echinococcus multilocularis c src tyrosine kinase 0.0003 0.0054 0.1118
Echinococcus multilocularis FTZ F1 alpha 0.0005 0.0177 0.3919
Brugia malayi nuclear receptor NHR-67 0.0003 0.0052 0.0131
Brugia malayi hypothetical protein 0.0003 0.0052 0.0131
Brugia malayi SRC-1 0.0012 0.0444 0.1222
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0009 0.0339 0.7625
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0005 0.0177 0.3919
Entamoeba histolytica protein kinase, putative 0.0009 0.0344 1
Schistosoma mansoni zinc finger protein 0.0003 0.0052 0.0048
Echinococcus granulosus Nuclear hormone receptor HR96 0.0003 0.0052 0.1073
Loa Loa (eye worm) hypothetical protein 0.0003 0.0052 0.0131
Loa Loa (eye worm) hypothetical protein 0.0003 0.0065 0.0168
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0177 0.0174
Brugia malayi photoreceptor-specific nuclear receptor 0.0005 0.0177 0.0479
Onchocerca volvulus 0.0073 0.3111 1
Onchocerca volvulus 0.0009 0.0339 0.1079
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0003 0.0054 0.005
Brugia malayi nuclear hormone receptor family member nhr-6 0.0003 0.0052 0.0131
Loa Loa (eye worm) hypothetical protein 0.0003 0.0052 0.0131
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0003 0.0052 0.0152
Schistosoma mansoni thyroid hormone receptor 0.0005 0.0177 0.0174
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0003 0.0092 0.5
Echinococcus multilocularis tyrosine protein kinase Abl 0.0003 0.0054 0.1118
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0003 0.0058 0.0148
Brugia malayi Nuclear hormone receptor-like 1 0.0003 0.0065 0.0168
Schistosoma mansoni adapter molecule crk 0.0002 0.0039 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0005 0.0177 0.0479
Loa Loa (eye worm) hypothetical protein 0.0005 0.0177 0.0479
Schistosoma mansoni DNA helicase recq1 0.0003 0.0058 0.0055
Schistosoma mansoni nuclear receptor 0.0003 0.0052 0.0048
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0003 0.0058 0.1215
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0002 0.0039 0.0097
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0177 0.0479
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0003 0.0092 0.5
Loa Loa (eye worm) hypothetical protein 0.0003 0.0065 0.0168
Brugia malayi Bloom's syndrome protein homolog 0.0007 0.0226 0.0615
Loa Loa (eye worm) hypothetical protein 0.0003 0.0052 0.0131
Brugia malayi Pre-SET motif family protein 0.0009 0.0339 0.0932
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0009 0.0339 0.0336
Schistosoma mansoni tyrosine kinase 0.0001 0.0004 0.0001
Schistosoma mansoni growth factor receptor-bound protein 0.0002 0.0039 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0005 0.0177 0.0479
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0087 0.3757 0.3721
Echinococcus multilocularis tyrosine protein kinase Src42A 0.001 0.0381 0.856
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0012 0.0444 1
Brugia malayi nuclear receptor NHR-88 0.0005 0.0177 0.0479
Brugia malayi Pre-SET motif family protein 0.0064 0.2726 0.7571
Trichomonas vaginalis DNA helicase recq1, putative 0.0007 0.0226 0.0218
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0005 0.0177 0.0479
Plasmodium vivax SET domain protein, putative 0.0009 0.0339 0.0209
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0012 0.0444 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0003 0.0054 0.1118
Onchocerca volvulus 0.0005 0.0177 0.0554
Schistosoma mansoni retinoic acid receptor RXR 0.0005 0.0177 0.0174
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0003 0.0054 0.1118
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0012 0.0444 1
Echinococcus multilocularis bloom syndrome protein 0.0007 0.0226 0.5031
Echinococcus granulosus bloom syndrome protein 0.0007 0.0226 0.5031
Loa Loa (eye worm) hypothetical protein 0.0003 0.0052 0.0131
Schistosoma mansoni blooms syndrome DNA helicase 0.0005 0.0165 0.0162
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0006 0.0191 0.0134
Loa Loa (eye worm) hypothetical protein 0.0003 0.0058 0.0148
Loa Loa (eye worm) hypothetical protein 0.0003 0.0052 0.0131
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0003 0.0058 0.0058
Onchocerca volvulus Protein ultraspiracle homolog 0.0005 0.0177 0.0554
Echinococcus multilocularis tyrosine protein kinase Blk 0.001 0.0395 0.8882
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0003 0.0052 0.1073
Schistosoma mansoni thyroid hormone receptor 0.0005 0.0177 0.0174
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.001 0.0395 0.8882
Echinococcus granulosus histone lysine methyltransferase setb 0.0009 0.0339 0.7625
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0005 0.0177 0.0479
Brugia malayi steroid hormone receptor 0.0005 0.0177 0.0479
Brugia malayi hypothetical protein 0.0003 0.0065 0.0168
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0005 0.0177 0.0479
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0005 0.0177 0.3919
Loa Loa (eye worm) hypothetical protein 0.0003 0.0052 0.0131
Brugia malayi Tyrosine-protein kinase abl-1 0.0003 0.0054 0.0137
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0005 0.0177 0.0174
Onchocerca volvulus Huntingtin homolog 0.0038 0.158 0.5072
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0012 0.0444 1
Brugia malayi tailless protein 0.0003 0.0052 0.0131
Loa Loa (eye worm) hypothetical protein 0.0003 0.0052 0.0131
Brugia malayi nuclear receptor NHR-88 0.0003 0.0052 0.0131
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0003 0.0065 0.0062
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.023 1 1
Loa Loa (eye worm) RecQ helicase 0.0007 0.0226 0.0615
Brugia malayi Nuclear hormone receptor-like 1 0.0003 0.0065 0.0168
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0005 0.0177 0.0554
Echinococcus multilocularis NCK adaptor protein 0.0002 0.0039 0.0796
Echinococcus granulosus NCK adaptor protein 0.0002 0.0039 0.0796
Brugia malayi orphan nuclear receptor NR2E1 0.0003 0.0052 0.0131
Loa Loa (eye worm) nuclear hormone receptor 0.0003 0.0052 0.0131
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0177 0.0174
Giardia lamblia Encystation-specific protease 0.0087 0.3757 0.3721
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0003 0.0065 0.0168
Echinococcus granulosus tyrosine protein kinase Blk 0.001 0.0395 0.8882
Schistosoma mansoni glutaminase 0.0084 0.3599 0.3597
Loa Loa (eye worm) hypothetical protein 0.0005 0.0177 0.0479
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0009 0.0339 0.7625
Loa Loa (eye worm) hypothetical protein 0.0003 0.0052 0.0131
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0005 0.0177 0.0479
Trichomonas vaginalis set domain proteins, putative 0.0073 0.3111 0.4956
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0005 0.0177 0.0479
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0003 0.0052 0.0048
Onchocerca volvulus Huntingtin homolog 0.0038 0.158 0.5072
Brugia malayi conserved hypotetical protein 0.0003 0.0052 0.0131
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0005 0.0177 0.0174
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0003 0.0052 0.1073
Schistosoma mansoni steroid hormone receptor ad4bp 0.0005 0.0177 0.0174
Schistosoma mansoni DNA helicase recq5 0.0003 0.0058 0.0055
Echinococcus granulosus tyrosine protein kinase Src64B 0.0012 0.0444 1
Brugia malayi nuclear hormone receptor 0.0005 0.0177 0.0479
Onchocerca volvulus Bile acid receptor homolog 0.0005 0.0177 0.0554
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0087 0.3757 0.3721
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.023 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0003 0.0052 0.1073
Toxoplasma gondii cathepsin CPC1 0.023 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0003 0.0052 0.1073
Echinococcus granulosus tyrosine protein kinase Fyn 0.0012 0.0444 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.001 0.0395 0.8882
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0005 0.0177 0.3919
Echinococcus granulosus FTZ F1 alpha 0.0005 0.0177 0.3919
Loa Loa (eye worm) hypothetical protein 0.0002 0.0039 0.0097
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0012 0.0444 1
Schistosoma mansoni RAR-like nuclear receptor 0.0005 0.0177 0.0174
Schistosoma mansoni hypothetical protein 0.0016 0.0632 0.0629
Echinococcus granulosus tyrosine protein kinase Fyn 0.0012 0.0444 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0005 0.0177 0.0174
Schistosoma mansoni nck2/grb4 0.0002 0.0039 0.0036
Brugia malayi protein-tyrosine kinase 0.001 0.0395 0.1086
Echinococcus multilocularis tyrosine protein kinase HCK 0.0009 0.0344 0.7735
Brugia malayi nuclear receptor RXR 0.0003 0.0065 0.0168
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0003 0.0065 0.1378
Brugia malayi Sex muscle abnormal protein 5 0.0002 0.0039 0.0097
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0002 0.0039 0.0036
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0003 0.0058 0.1215
Brugia malayi Steroid receptor seven-up type 2 0.0005 0.0177 0.0479
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0005 0.0177 0.0174
Loa Loa (eye worm) steroid hormone receptor 0.0005 0.0177 0.0479
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0003 0.0052 0.0048
Brugia malayi nuclear hormone receptor 0.0003 0.0052 0.0131
Trichomonas vaginalis DNA helicase recq, putative 0.0007 0.0226 0.0218
Brugia malayi Nuclear hormone receptor E75 0.0003 0.0052 0.0131
Brugia malayi nuclear receptor RXR 0.0003 0.0052 0.0131
Mycobacterium ulcerans glutaminase 0.0084 0.3599 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0005 0.0177 0.0479
Loa Loa (eye worm) hypothetical protein 0.0009 0.0339 0.0932
Loa Loa (eye worm) hypothetical protein 0.0038 0.158 0.4383
Brugia malayi Variant SH3 domain containing protein 0.0002 0.0039 0.0097
Loa Loa (eye worm) hypothetical protein 0.0003 0.0065 0.0168
Loa Loa (eye worm) hypothetical protein 0.0038 0.158 0.4383
Loa Loa (eye worm) TK protein kinase 0.0009 0.0344 0.0946
Echinococcus granulosus ecdysone induced protein 78C 0.0005 0.0177 0.3919
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0005 0.0177 0.3919

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 106 nM BindingDB_Patents: Inhibition Assay. The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4, 150 mM NaCl adjusted to pH 6.0 with HCl. Assay Conditions: The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cysteamine aqueous solution (2 mM) and incubating for 5 min at room temperature.Five uL test compound (final concentration 0.1 nM to 100 uM) in aqua bidest (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 uL of DPPI in MES buffer (final concentration 0.0125 ng/uL) and incubated for 10 min. Then, 5 uL of substrate in MES buffer (final concentration 50 uM) were added. The microtiter plates were then incubated at room temperature for 30 min. Then, the reaction was stopped by adding 10 uL of Gly-Phe-DMK in MES-buffer (final concentration 1 uM). ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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