Detailed information for compound 1590413

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 462.586 | Formula: C21H26N4O4S2
  • H donors: 3 H acceptors: 4 LogP: 2.26 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNC(=O)c1cnc(c2c1sc(c2)c1ccc(cc1)S(=O)(=O)NC(C)(C)C)N
  • InChi: 1S/C21H26N4O4S2/c1-21(2,3)25-31(27,28)14-7-5-13(6-8-14)17-11-15-18(30-17)16(12-24-19(15)22)20(26)23-9-10-29-4/h5-8,11-12,25H,9-10H2,1-4H3,(H2,22,24)(H,23,26)
  • InChiKey: PYAGKUPDMHSDNB-UHFFFAOYSA-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 tyrosine kinase 2 Starlite/ChEMBL References
Homo sapiens Janus kinase 2 Starlite/ChEMBL References
Homo sapiens Janus kinase 1 Starlite/ChEMBL References
Homo sapiens Janus kinase 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.0564 0.1149
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0014 0.0063 0.1997
Brugia malayi MBOAT family protein 0.0014 0.0063 0.0142
Echinococcus granulosus tyrosine kinase 0.0015 0.013 0.0263
Loa Loa (eye worm) hypothetical protein 0.0024 0.0564 0.0564
Trichomonas vaginalis porcupine, putative 0.0014 0.0063 0.1997
Onchocerca volvulus 0.0015 0.013 0.2303
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.0564 0.1279
Loa Loa (eye worm) hypothetical protein 0.0024 0.0564 0.0564
Brugia malayi ecdysteroid receptor 0.0024 0.0564 0.1279
Brugia malayi SH2 domain containing protein 0.0015 0.013 0.0295
Echinococcus granulosus o acyltransferase membrane bound domain 0.0014 0.0063 0.0127
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.0564 0.1149
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0014 0.0063 0.0142
Loa Loa (eye worm) hypothetical protein 0.0024 0.0564 0.0564
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.2983 1
Echinococcus multilocularis c src tyrosine kinase 0.0015 0.013 0.0154
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0015 0.013 0.0294
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0014 0.0063 0.0142
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0314 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0564 0.0564
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0084 0.352 1
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0018 0.0244 0.0551
Loa Loa (eye worm) hypothetical protein 0.0024 0.0564 0.0564
Schistosoma mansoni hypothetical protein 0.0014 0.0063 0.0142
Leishmania major cathepsin L-like protease 0.0073 0.2983 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0024 0.0564 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.2796 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0314 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.0564 0.1149
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0019 0.0314 0.0314
Entamoeba histolytica hypothetical protein 0.0014 0.0063 0.1997
Onchocerca volvulus Cathepsin L homolog 0.0019 0.0314 0.5567
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.4411 0.9967
Echinococcus granulosus sodium channel protein 0.0059 0.2306 0.4678
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0314 1
Brugia malayi diacylglycerol acyltransferase 0.0084 0.352 0.7981
Brugia malayi protein-tyrosine kinase 0.0015 0.013 0.0295
Brugia malayi Cathepsin L-like precursor 0.0019 0.0314 0.0712
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0314 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0314 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.0564 0.0564
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2983 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0314 1
Echinococcus granulosus FTZ F1 alpha 0.0024 0.0564 0.1144
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0063 0.1997
Onchocerca volvulus 0.0024 0.0564 1
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0564 0.1279
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0314 1
Loa Loa (eye worm) hypothetical protein 0.007 0.2822 0.2822
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0015 0.013 0.0154
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.2796 0.6317
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0015 0.013 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0564 0.1279
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0564 0.1279
Echinococcus multilocularis tyrosine protein kinase shark 0.0015 0.013 0.0154
Loa Loa (eye worm) hypothetical protein 0.0024 0.0564 0.0564
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0564 0.1149
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0069 0.2796 0.6264
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2983 1
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0015 0.013 0.0154
Echinococcus granulosus adam 0.0018 0.0244 0.0495
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0014 0.0063 0.0142
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0084 0.352 1
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0314 1
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.0564 0.1279
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.0564 0.1279
Loa Loa (eye worm) TK/ABL protein kinase 0.0015 0.013 0.013
Echinococcus granulosus tyrosine protein kinase Blk 0.0015 0.013 0.0263
Onchocerca volvulus 0.0015 0.013 0.2303
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0314 0.071
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0014 0.0063 0.1997
Onchocerca volvulus 0.0019 0.0314 0.5567
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.0564 0.1274
Entamoeba histolytica vacuolar protein sorting 26 0.0014 0.0063 0.1997
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.4411 0.9967
Onchocerca volvulus 0.0015 0.013 0.2303
Loa Loa (eye worm) hypothetical protein 0.0024 0.0564 0.0564
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0314 1
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0059 0.2306 0.4678
Brugia malayi MBOAT family protein 0.0014 0.0063 0.0142
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.0564 0.1144
Brugia malayi Protein kinase domain containing protein 0.0015 0.013 0.0295
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0067 0.2669 0.8925
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0048 0.1754 0.3964
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0015 0.013 0.0263
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.0564 0.0564
Echinococcus multilocularis tyrosine kinase 0.0015 0.013 0.0154
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0015 0.013 0.0154
Echinococcus granulosus tyrosine protein kinase Src42A 0.0015 0.013 0.0263
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0564 0.1274
Schistosoma mansoni tyrosine kinase 0.0015 0.013 0.0294
Loa Loa (eye worm) hypothetical protein 0.0019 0.0314 0.0314
Echinococcus granulosus tyrosine protein kinase ABL1 0.0015 0.013 0.0263
Brugia malayi MBOAT family protein 0.0014 0.0063 0.0142
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.0564 0.0564
Loa Loa (eye worm) hhat protein 0.0014 0.0063 0.0063
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0015 0.013 0.0154
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0015 0.013 0.0154
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0084 0.352 0.7954
Brugia malayi nuclear hormone receptor 0.0024 0.0564 0.1279
Onchocerca volvulus 0.0019 0.0314 0.5567
Schistosoma mansoni coup transcription factor 0.0024 0.0564 0.1274
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0014 0.0063 0.0127
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0314 1
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0084 0.352 1
Onchocerca volvulus 0.0019 0.0314 0.5567
Loa Loa (eye worm) hypothetical protein 0.0014 0.0063 0.0063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.0564 0.0564
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0069 0.2796 0.9358
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0314 1
Onchocerca volvulus 0.0019 0.0314 0.5567
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.2983 1
Toxoplasma gondii aldehyde dehydrogenase 0.0069 0.2796 0.7904
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0014 0.0063 0.0127
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0015 0.013 0.0154
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0084 0.352 1
Brugia malayi Cathepsin L-like precursor 0.0019 0.0314 0.0712
Loa Loa (eye worm) TK protein kinase 0.0015 0.013 0.013
Echinococcus granulosus tyrosine protein kinase shark 0.0015 0.013 0.0263
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0564 0.1274
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2983 1
Echinococcus multilocularis adam 0.0018 0.0244 0.0416
Onchocerca volvulus 0.0019 0.0314 0.5567
Echinococcus granulosus tyrosine protein kinase Lyn 0.0015 0.013 0.0263
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.0564 0.1279
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0019 0.0314 1
Brugia malayi steroid hormone receptor 0.0024 0.0564 0.1279
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0084 0.352 0.352
Loa Loa (eye worm) MBOAT family protein 0.0014 0.0063 0.0063
Schistosoma mansoni tyrosine kinase 0.0015 0.013 0.0294
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0102 0.4411 1
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0014 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.0014 0.0063 0.0063
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.4411 0.9966
Echinococcus granulosus o acyltransferase membrane bound domain 0.0014 0.0063 0.0127
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0314 0.0576
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.0564 0.1279
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.013 0.013
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0314 0.071
Loa Loa (eye worm) hypothetical protein 0.0024 0.0564 0.0564
Schistosoma mansoni zinc finger protein 0.0014 0.0063 0.0142
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.0564 0.1144
Leishmania major cathepsin L-like protease 0.0019 0.0314 0.086
Trypanosoma cruzi cysteine peptidase, putative 0.0019 0.0314 0.086
Echinococcus granulosus tyrosine protein kinase Srms 0.0015 0.013 0.0263
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0314 1
Brugia malayi Hhat protein 0.0014 0.0063 0.0142
Schistosoma mansoni tyrosine kinase 0.0015 0.013 0.0294
Loa Loa (eye worm) hhat protein 0.0014 0.0063 0.0063
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0014 0.0063 0.0127
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0015 0.013 0.0154
Leishmania major cysteine peptidase A (CPA) 0.0019 0.0314 0.086
Brugia malayi SRC-1 0.0015 0.013 0.0295
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0564 0.1279
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0063 0.1997
Brugia malayi MBOAT family protein 0.0014 0.0063 0.0142
Brugia malayi Protein kinase domain containing protein 0.0015 0.013 0.0295
Echinococcus multilocularis cysteine protease 0.0019 0.0314 0.0576
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0014 0.0063 0.0127
Brugia malayi nuclear receptor NHR-88 0.0024 0.0564 0.1279
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0014 0.0063 0.1997
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0015 0.013 0.0154
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.0564 0.1274
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0102 0.4426 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0314 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0564 0.1279
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.4411 0.8946
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.013 0.013
Onchocerca volvulus 0.0019 0.0314 0.5567
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0015 0.013 0.0263
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0069 0.2796 0.567
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0314 1
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0048 0.1754 0.3977
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0314 1
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.013 0.013
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0102 0.4411 0.8946
Echinococcus granulosus tyrosine protein kinase Fyn 0.0015 0.013 0.0263
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0059 0.2306 0.7683
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.0564 0.1274
Brugia malayi SH2 domain containing protein 0.0015 0.013 0.0295
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0102 0.4411 0.4411
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.013 0.013
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0314 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0314 0.0576
Brugia malayi Protein kinase domain containing protein 0.0015 0.013 0.0295
Brugia malayi Tyrosine-protein kinase abl-1 0.0015 0.013 0.0295
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.2983 1
Treponema pallidum alginate O-acetylation protein (algI) 0.0014 0.0063 0.5
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0048 0.1754 0.3877
Echinococcus granulosus tyrosine protein kinase Fyn 0.0015 0.013 0.0263
Onchocerca volvulus Cathepsin F homolog 0.0019 0.0314 0.5567
Entamoeba histolytica cysteine protease, putative 0.0019 0.0314 1
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.013 0.013
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0048 0.1754 0.3558
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0564 0.1144
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.0314 0.0712
Entamoeba histolytica hypothetical protein, conserved 0.0014 0.0063 0.1997
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0564 0.1274
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.2796 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0314 1
Loa Loa (eye worm) cysteine protease 0.0019 0.0314 0.0314
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.0564 0.0564
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0314 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0102 0.4411 0.9966
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.0564 0.1279
Loa Loa (eye worm) fibroinase 0.0019 0.0314 0.0314
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0314 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.2796 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2983 1
Brugia malayi Protein kinase domain containing protein 0.0015 0.013 0.0295
Echinococcus granulosus c src tyrosine kinase 0.0015 0.013 0.0263
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.0564 0.1279
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0015 0.013 0.0263
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0314 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0015 0.013 0.0263
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0084 0.352 0.714
Loa Loa (eye worm) SRC-1 0.0015 0.013 0.013
Schistosoma mansoni tyrosine kinase 0.0015 0.013 0.0294
Leishmania major cathepsin L-like protease 0.0019 0.0314 0.086
Loa Loa (eye worm) MBOAT family protein 0.0014 0.0063 0.0063
Echinococcus granulosus tyrosine kinase 0.0015 0.013 0.0263
Leishmania major cathepsin L-like protease 0.0019 0.0314 0.086
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0314 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.0564 0.1279
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0015 0.013 0.0154
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0564 0.1144
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0314 0.0576
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.0564 0.1144
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2983 1
Leishmania major cathepsin L-like protease 0.0019 0.0314 0.086
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0314 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.013 0.013
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0564 0.1279
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0015 0.013 0.0154
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0064 0.254 0.5152
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.013 0.013
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0064 0.254 0.5678
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0564 0.1274
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0314 0.0576
Leishmania major cathepsin L-like protease 0.0073 0.2983 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0015 0.013 0.0154
Trypanosoma cruzi cruzipain precursor, putative 0.0073 0.2983 1
Echinococcus multilocularis sodium channel protein 0.0059 0.2306 0.5142
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.0564 0.1149
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0564 0.1149
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0084 0.352 0.7925
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.0564 0.1279
Onchocerca volvulus 0.0014 0.0063 0.1112
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.013 0.013
Echinococcus multilocularis tyrosine protein kinase Blk 0.0015 0.013 0.0154
Echinococcus granulosus adam 17 protease 0.0112 0.493 1
Brugia malayi hypothetical protein 0.0018 0.0244 0.0553
Echinococcus granulosus sterol O acyltransferase 1 0.0014 0.0063 0.0127
Onchocerca volvulus 0.0015 0.013 0.2303
Echinococcus multilocularis adam 17 protease 0.0102 0.4426 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.0564 0.1144
Loa Loa (eye worm) hypothetical protein 0.0014 0.0063 0.0063
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0015 0.013 0.0263
Leishmania major cathepsin L-like protease 0.0019 0.0314 0.086
Echinococcus multilocularis thyroid hormone receptor alpha 0.0024 0.0564 0.1149
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.013 0.013
Onchocerca volvulus Bile acid receptor homolog 0.0024 0.0564 1
Brugia malayi Protein kinase domain containing protein 0.0015 0.013 0.0295
Onchocerca volvulus 0.0015 0.013 0.2303
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0314 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0314 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0063 0.1997
Brugia malayi Cathepsin L-like precursor 0.0019 0.0314 0.0712
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0019 0.0314 0.0314
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2983 1
Leishmania major cathepsin L-like protease 0.0073 0.2983 1
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0314 1
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.013 0.013
Brugia malayi Cathepsin L-like precursor 0.0019 0.0314 0.0712
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2983 1
Schistosoma mansoni retinoic acid receptor RXR 0.0024 0.0564 0.1274
Echinococcus granulosus cathepsin l1 0.0019 0.0314 0.0637
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2983 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2983 1
Schistosoma mansoni tyrosine kinase 0.0015 0.013 0.0294
Brugia malayi Cathepsin L-like precursor 0.0019 0.0314 0.0712
Schistosoma mansoni tyrosine kinase 0.0015 0.013 0.0294
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0102 0.4411 0.9967
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.0564 0.1144
Schistosoma mansoni sterol O-acyltransferase 1 0.0014 0.0063 0.0142
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0015 0.013 0.4137
Toxoplasma gondii cathepsin CPL 0.0019 0.0314 0.0727
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.0564 0.1274
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0024 0.0564 1
Onchocerca volvulus Cathepsin L homolog 0.0019 0.0314 0.5567
Echinococcus granulosus cathepsin L cysteine proteinase 0.0019 0.0314 0.0637
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.0564 0.1274
Loa Loa (eye worm) hypothetical protein 0.0014 0.0063 0.0063
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.2796 0.6317
Onchocerca volvulus 0.0019 0.0314 0.5567
Brugia malayi Cathepsin L-like precursor 0.0019 0.0314 0.0712
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.013 0.013
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2983 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0069 0.2796 0.5
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0014 0.0063 0.0142
Echinococcus granulosus cathepsin l cysteine peptidase 0.0019 0.0314 0.0637
Echinococcus granulosus o acyltransferase membrane bound domain 0.0014 0.0063 0.0127
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 0.0564 0.1274
Trypanosoma cruzi major cysteine proteinase, putative 0.0057 0.2209 0.7348
Loa Loa (eye worm) MBOAT family protein 0.0014 0.0063 0.0063
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.2983 1
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.0564 0.0564
Brugia malayi MBOAT family protein 0.0014 0.0063 0.0142
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0564 0.1279
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0019 0.0314 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.0564 0.1144
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.0564 0.1149
Onchocerca volvulus 0.0015 0.013 0.2303
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 0.0564 0.1274
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0015 0.013 0.0154
Echinococcus granulosus tyrosine protein kinase Src64B 0.0015 0.013 0.0263
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0015 0.013 0.0154
Trichomonas vaginalis transmembrane protein nessy, putative 0.0014 0.0063 0.1997
Brugia malayi hypothetical protein 0.0015 0.013 0.0295
Loa Loa (eye worm) ctsf protein 0.0019 0.0314 0.0314
Echinococcus multilocularis cysteine protease 0.0019 0.0314 0.0576
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0014 0.0063 0.0142
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0015 0.013 0.0263
Echinococcus multilocularis tyrosine protein kinase Abl 0.0015 0.013 0.0154
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.0564 0.1149
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.0564 0.0564
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.0564 0.0564

Activities

Activity type Activity value Assay description Source Reference
Fu (ADMET) = 2.3 % Fraction unbound in human plasma by equilibrium dialysis ChEMBL. 22087750
IC50 (binding) = 0.003 uM Inhibition of human recombinant N-terminal GST-tagged JAK2 expressed in Sf9 cells using Biotin-LC-EQEDEPEGDYFEWLE as substrate after 90 mins by TR-FRET assay ChEMBL. 22087750
IC50 (binding) = 0.129 uM Inhibition of human recombinant N-terminal GST-tagged JAK1 expressed in Sf9 cells using Biotin-LC-EQEDEPEGDYFEWLE as substrate after 90 mins by TR-FRET assay ChEMBL. 22087750
IC50 (binding) = 0.135 uM Inhibition of JAK2 in human PBMC assessed as inhibition of TPO-stimulated STAT5 phosphorylation preincubated for 30 mins prior to TPO challenge measured after 15 mins by intracellular phosflow staining ChEMBL. 22087750
IC50 (binding) = 0.959 uM Inhibition of TEL-fused JAK2 expressed in Ba/F3 cells assessed as inhibition of STAT5 phosphorylation after 60 mins by AlphaScreen assay ChEMBL. 22087750
IC50 (binding) = 1.28 uM Inhibition of human recombinant N-terminal GST-tagged JAK3 expressed in Sf9 cells using Biotin-LC-EQEDEPEGDYFEWLE as substrate after 90 mins by TR-FRET assay ChEMBL. 22087750
IC50 (binding) = 1.48 uM Inhibition of human recombinant N-terminal GST-tagged TYK2 expressed in Sf9 cells using Biotin-LC-EQEDEPEGDYFEWLE as substrate after 90 mins by TR-FRET assay ChEMBL. 22087750
IC50 (binding) = 3.95 uM Inhibition of JAK2 in human whole blood assessed as inhibition of TPO-stimulated STAT5 phosphorylation preincubated for 30 mins prior to TPO challenge measured after 15 mins by intracellular phosflow staining ChEMBL. 22087750
IC50 (binding) = 4.45 uM Inhibition of JAK1/JAK3 in human PBMC assessed as inhibition of IL2-stimulated STATs phosphorylation preincubated for 30 mins prior to IL2 challenge measured after 15 mins by intracellular phosflow staining ChEMBL. 22087750
IC50 (binding) = 6.61 uM Inhibition of TEL-fused JAK1 expressed in Ba/F3 cells assessed as inhibition of STAT5 phosphorylation after 60 mins by AlphaScreen assay ChEMBL. 22087750
IC50 (binding) > 25 uM Inhibition of TEL-fused JAK3 expressed in Ba/F3 cells assessed as inhibition of STAT5 phosphorylation after 60 mins by AlphaScreen assay ChEMBL. 22087750
IC50 (binding) > 25 uM Inhibition of TEL-fused TYK2 expressed in Ba/F3 cells assessed as inhibition of STAT5 phosphorylation after 60 mins by AlphaScreen assay ChEMBL. 22087750
IC50 (binding) > 25 uM Inhibition of JAK1/JAK3 in human whole blood assessed as inhibition of IL2-stimulated STATs phosphorylation preincubated for 30 mins prior to IL2 challenge measured after 15 mins by intracellular phosflow staining ChEMBL. 22087750
Ratio IC50 (binding) = 29.3 Ratio of IC50 for JAK2 in human whole blood to IC50 for JAK2 in human PBMC ChEMBL. 22087750

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

1 literature reference was collected for this gene.

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