Detailed information for compound 1044938

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 680.718 | Formula: C29H31F3N6O6S2
  • H donors: 5 H acceptors: 6 LogP: -0.48 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.NCc1ccc2c(c1)SC[C@H](C(=O)N2CC(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc1ccccc1
  • InChi: 1S/C27H30N6O4S2.C2HF3O2/c28-13-20-8-11-23-24(12-20)38-16-22(32-39(36,37)17-19-4-2-1-3-5-19)27(35)33(23)15-25(34)31-14-18-6-9-21(10-7-18)26(29)30;3-2(4,5)1(6)7/h1-12,22,32H,13-17,28H2,(H3,29,30)(H,31,34);(H,6,7)/t22-;/m1./s1
  • InChiKey: OTZAVTUNTVGHRT-VZYDHVRKSA-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 coagulation factor X Starlite/ChEMBL References
Homo sapiens coagulation factor VII (serum prothrombin conversion accelerator) References
Homo sapiens coagulation factor III (thromboplastin, tissue factor) Starlite/ChEMBL References
Homo sapiens coagulation factor II (thrombin) 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus glycoprotein Antigen 5 coagulation factor VII (serum prothrombin conversion accelerator) 466 aa 384 aa 23.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus tissue type plasminogen activator 0.0021 0.0199 0.0292
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0054 0.1071 0.795
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0158 0.005
Echinococcus granulosus Nuclear hormone receptor HR96 0.0056 0.1135 0.1666
Loa Loa (eye worm) DR-78 0.0056 0.1135 0.1855
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0243 0.6117 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0158 0.1284
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.2477 0.405
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.056 0.056
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.1071 0.1338
Onchocerca volvulus 0.0056 0.1135 0.1618
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0531 0.078
Brugia malayi Nuclear hormone receptor E75 0.0056 0.1135 0.1855
Toxoplasma gondii kringle domain-containing protein 0.0021 0.0199 0.1474
Brugia malayi EGF-like domain containing protein 0.0014 0.000000038976 0.000000063713
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0648 0.0828
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0648 0.0952
Toxoplasma gondii calcium binding egf domain-containing protein 0.0016 0.0061 0.0453
Loa Loa (eye worm) hypothetical protein 0.0016 0.0061 0.01
Echinococcus granulosus FTZ F1 alpha 0.0119 0.282 0.4141
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0648 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0119 0.282 0.282
Brugia malayi ecdysteroid receptor 0.0119 0.282 0.461
Brugia malayi Niemann-Pick C1 protein precursor 0.0104 0.2414 0.3946
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0119 0.282 0.4141
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0243 0.6135 1
Brugia malayi Pre-SET motif family protein 0.0035 0.056 0.0916
Brugia malayi beta-lactamase family protein 0.0038 0.0648 0.106
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0526 0.0773
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0119 0.282 0.461
Brugia malayi hypothetical protein 0.0063 0.1315 0.215
Schistosoma mansoni nuclear receptor 0.0056 0.1135 0.1135
Schistosoma mansoni steroid hormone receptor ad4bp 0.0119 0.282 0.282
Loa Loa (eye worm) hypothetical protein 0.0119 0.282 0.461
Schistosoma mansoni patched 1 0.0045 0.0825 0.0825
Echinococcus granulosus expressed conserved protein 0.0098 0.2245 0.3297
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0158 0.1473
Onchocerca volvulus 0.0056 0.1135 0.1618
Onchocerca volvulus 0.0096 0.2201 0.3139
Echinococcus multilocularis fibrillin 1 0.0016 0.0061 0.0061
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0825 0.0979
Loa Loa (eye worm) hypothetical protein 0.0063 0.1315 0.215
Onchocerca volvulus Arrow homolog 0.0016 0.0061 0.0087
Onchocerca volvulus Bile acid receptor homolog 0.0119 0.282 0.402
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.056 0.056
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0648 0.0722
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.1347 0.1978
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0056 0.1135 0.1618
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0054 0.1071 0.7687
Brugia malayi nuclear receptor RXR 0.0056 0.1135 0.1855
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0016 0.0061 0.01
Echinococcus multilocularis FTZ F1 alpha 0.0119 0.282 0.282
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0119 0.282 0.282
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0119 0.282 0.461
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0153 0.025
Echinococcus multilocularis bloom syndrome protein 0.0025 0.0304 0.0304
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0016 0.0061 0.0061
Echinococcus granulosus Niemann Pick C1 protein 0.0149 0.3609 0.5299
Loa Loa (eye worm) hypothetical protein 0.0038 0.0648 0.106
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0016 0.0061 0.01
Loa Loa (eye worm) hypothetical protein 0.0016 0.0061 0.01
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0119 0.282 0.461
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0054 0.1071 1
Schistosoma mansoni thyroid hormone receptor 0.0388 1 1
Schistosoma mansoni hypothetical protein 0.0043 0.0782 0.0782
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0119 0.282 0.4141
Loa Loa (eye worm) hypothetical protein 0.0056 0.1135 0.1855
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.1071 0.1338
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0149 0.3625 0.3625
Loa Loa (eye worm) hypothetical protein 0.0073 0.1576 0.2577
Loa Loa (eye worm) hypothetical protein 0.0063 0.1315 0.215
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0531 0.0868
Loa Loa (eye worm) hypothetical protein 0.0127 0.3021 0.4938
Schistosoma mansoni hypothetical protein 0.0034 0.0531 0.0531
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0531 0.0868
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0158 0.002
Brugia malayi nuclear hormone receptor 0.0119 0.282 0.461
Loa Loa (eye worm) hypothetical protein 0.0119 0.282 0.461
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0119 0.282 0.461
Loa Loa (eye worm) hypothetical protein 0.0038 0.0648 0.106
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0158 0.0258
Echinococcus granulosus neurogenic locus notch protein 0.0014 0.000000038976 0.000000057233
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0158 0.005
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.0304 0.0219
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0825 0.0825
Toxoplasma gondii exonuclease III APE 0.002 0.0158 0.1171
Loa Loa (eye worm) hypothetical protein 0.0038 0.0648 0.106
Echinococcus multilocularis nuclear receptor nhr 48 0.0056 0.1135 0.1135
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0648 0.0648
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0648 0.5394
Loa Loa (eye worm) hypothetical protein 0.0056 0.1135 0.1855
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.1347 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.1071 1
Brugia malayi notch-like transmembrane receptor 0.0014 0.000000038976 0.000000063713
Loa Loa (eye worm) beta-lactamase 0.0038 0.0648 0.106
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.008 0.0594
Onchocerca volvulus 0.0021 0.0199 0.0283
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0119 0.282 0.4141
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.1071 0.1071
Toxoplasma gondii calcium binding egf domain-containing protein 0.0016 0.0061 0.0453
Loa Loa (eye worm) hypothetical protein 0.0038 0.0648 0.106
Echinococcus granulosus Nuclear hormone receptor HR96 0.0056 0.1135 0.1666
Loa Loa (eye worm) hypothetical protein 0.0056 0.1135 0.1855
Echinococcus multilocularis GPCR, family 2 0.0034 0.0531 0.0531
Loa Loa (eye worm) hypothetical protein 0.0038 0.0648 0.106
Echinococcus granulosus Niemann Pick C1 protein 0.0104 0.2414 0.3545
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0119 0.282 0.461
Plasmodium falciparum cysteine repeat modular protein 1 0.0021 0.0199 0.6372
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0119 0.282 0.282
Loa Loa (eye worm) hypothetical protein 0.002 0.0153 0.025
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0158 0.5
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0153 0.0153
Echinococcus granulosus GPCR family 2 0.0034 0.0531 0.078
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.1347 0.1347
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0014 0.000000038976 0.000000055571
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0158 0.0039
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0063 0.1315 0.1315
Onchocerca volvulus 0.0038 0.0648 0.0924
Schistosoma mansoni retinoic acid receptor RXR 0.0119 0.282 0.282
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0119 0.282 0.461
Brugia malayi Fibulin-1 precursor 0.0016 0.0061 0.01
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0153 0.025
Toxoplasma gondii ABC1 family protein 0.0038 0.0648 0.4811
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0222 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1315 0.215
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0119 0.282 0.461
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0056 0.1135 0.1855
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0056 0.1135 0.1135
Brugia malayi Kringle domain containing protein 0.0021 0.0199 0.0325
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0648 0.106
Schistosoma mansoni hypothetical protein 0.0021 0.0199 0.0199
Brugia malayi beta-lactamase 0.0038 0.0648 0.106
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0648 1
Mycobacterium ulcerans lipase LipD 0.0038 0.0648 0.4146
Brugia malayi nuclear receptor NHR-67 0.0056 0.1135 0.1855
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0153 0.0153
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0648 0.0828
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0119 0.282 0.461
Giardia lamblia Kinase, CMGC MAPK 0.0054 0.1071 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0054 0.1071 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0158 0.0007
Echinococcus multilocularis dna polymerase eta 0.002 0.0153 0.0153
Echinococcus granulosus dna polymerase kappa 0.002 0.0153 0.0225
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.1576 0.2577
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0648 0.0828
Loa Loa (eye worm) steroid hormone receptor 0.0119 0.282 0.461
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0054 0.1071 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0119 0.282 0.461
Brugia malayi CHE-14 protein 0.0045 0.0825 0.1348
Onchocerca volvulus Protein ultraspiracle homolog 0.0119 0.282 0.402
Echinococcus multilocularis dna polymerase kappa 0.002 0.0153 0.0153
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0648 0.0722
Echinococcus granulosus bloom syndrome protein 0.0025 0.0304 0.0446
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0056 0.1135 0.1855
Plasmodium vivax SET domain protein, putative 0.0035 0.056 0.8442
Brugia malayi nuclear receptor NHR-88 0.0056 0.1135 0.1855
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.3625 0.3625
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.056 0.056
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0119 0.282 0.461
Brugia malayi nuclear receptor NHR-88 0.0119 0.282 0.461
Onchocerca volvulus 0.0038 0.0648 0.0924
Schistosoma mansoni hypothetical protein 0.0034 0.0531 0.0531
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0056 0.1135 0.1666
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0119 0.282 0.4141
Loa Loa (eye worm) hypothetical protein 0.0016 0.0061 0.01
Schistosoma mansoni hypothetical protein 0.0073 0.1576 0.1576
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0825 0.1348
Loa Loa (eye worm) hypothetical protein 0.0014 0.000000038976 0.000000063713
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0158 0.0039
Loa Loa (eye worm) RecQ helicase 0.0025 0.0304 0.0496
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.1071 0.1573
Echinococcus granulosus nuclear receptor nhr 48 0.0056 0.1135 0.1666
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0149 0.3625 0.5926
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.1071 0.1338
Echinococcus granulosus ecdysone induced protein 78C 0.0119 0.282 0.4141
Echinococcus multilocularis Niemann Pick C1 protein 0.0149 0.3609 0.3609
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0269 0.681 0.681
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0063 0.1315 0.1315
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0056 0.1135 0.1135
Mycobacterium ulcerans beta-lactamase 0.0038 0.0648 0.4146
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0119 0.282 0.282
Leishmania major hypothetical protein, conserved 0.0021 0.0199 0.0381
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0119 0.282 0.282
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.056 0.056
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0119 0.282 0.461
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0063 0.1315 0.1931
Echinococcus granulosus Tolloid protein 1 0.0016 0.0061 0.009
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0158 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0648 0.5394
Loa Loa (eye worm) hypothetical protein 0.0119 0.282 0.461
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0119 0.282 0.4141
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0016 0.0061 0.01
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0648 0.4146
Loa Loa (eye worm) hypothetical protein 0.0104 0.2414 0.3946
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0119 0.282 0.461
Leishmania major hypothetical protein, conserved 0.0038 0.0648 0.4146
Loa Loa (eye worm) hypothetical protein 0.0119 0.282 0.461
Echinococcus multilocularis Tolloid protein 1 0.0016 0.0061 0.0061
Brugia malayi Protein kinase domain containing protein 0.0021 0.0199 0.0325
Mycobacterium tuberculosis Conserved protein 0.0038 0.0648 0.0828
Onchocerca volvulus 0.0276 0.7014 1
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0825 0.1211
Schistosoma mansoni hypothetical protein 0.0043 0.0782 0.0782
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0119 0.282 0.461
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0531 0.0531
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0106 0.2457 0.2457
Echinococcus multilocularis laminin 0.0016 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0119 0.282 0.461
Loa Loa (eye worm) hypothetical protein 0.0056 0.1135 0.1855
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0648 0.0722
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0648 0.0722
Brugia malayi MAP kinase sur-1 0.0054 0.1071 0.1751
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0119 0.282 0.402
Echinococcus multilocularis expressed conserved protein 0.0098 0.2245 0.2245
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0153 0.0225
Loa Loa (eye worm) hypothetical protein 0.0056 0.1135 0.1855
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0119 0.282 0.461
Echinococcus multilocularis neurogenic locus notch protein 0.0014 0.000000038976 0.000000038976
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0056 0.1135 0.1618
Brugia malayi nuclear hormone receptor family member odr-7 0.0056 0.1135 0.1855
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0056 0.1135 0.1135
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0119 0.282 0.282
Giardia lamblia DINP protein human, muc B family 0.002 0.0153 0.143
Brugia malayi beta-lactamase family protein 0.0038 0.0648 0.106
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.056 0.4161
Loa Loa (eye worm) nuclear hormone receptor 0.0056 0.1135 0.1855
Onchocerca volvulus Neurogenic locus notch homolog 0.0014 0.000000038976 0.000000055571
Loa Loa (eye worm) hypothetical protein 0.0056 0.1135 0.1855
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0149 0.3625 0.5323
Echinococcus multilocularis Niemann Pick C1 protein 0.0104 0.2414 0.2414
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0056 0.1135 0.1135
Loa Loa (eye worm) hypothetical protein 0.0016 0.0061 0.01
Mycobacterium leprae Probable lipase LipE 0.0038 0.0648 0.5
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0016 0.0061 0.01
Loa Loa (eye worm) hypothetical protein 0.0056 0.1135 0.1855
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.056 0.056
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.2477 0.405
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0054 0.1071 0.7687
Brugia malayi ecdysone receptor 0.0056 0.1135 0.1855
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0269 0.681 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0149 0.3625 0.3625
Schistosoma mansoni nuclear hormone receptor 0.0119 0.282 0.282
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0648 0.0828
Schistosoma mansoni hypothetical protein 0.0034 0.0531 0.0531
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0056 0.1135 0.1135
Loa Loa (eye worm) nuclear receptor NHR-67 0.0056 0.1135 0.1855
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0119 0.282 0.4141
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.1071 0.1573
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0158 0.0158
Echinococcus granulosus thyroid hormone receptor alpha 0.0056 0.1135 0.1666
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0648 0.4146
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0158 0.0008
Onchocerca volvulus 0.0119 0.282 0.402
Brugia malayi Pre-SET motif family protein 0.0243 0.6117 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0119 0.282 0.461
Brugia malayi nuclear hormone receptor 0.0056 0.1135 0.1855
Echinococcus multilocularis protein dispatched 1 0.0051 0.0994 0.0994
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0119 0.282 0.282
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0158 0.005
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0648 0.0648
Loa Loa (eye worm) hypothetical protein 0.0119 0.282 0.461
Schistosoma mansoni zinc finger protein 0.0056 0.1135 0.1135
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0162 0.0162
Trypanosoma brucei protein kinase, putative 0.0054 0.1071 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0119 0.282 0.4141
Brugia malayi hypothetical protein 0.0063 0.1315 0.215
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0158 0.0258
Mycobacterium tuberculosis Conserved protein 0.0038 0.0648 0.0828
Echinococcus granulosus laminin 0.0016 0.0061 0.009
Echinococcus multilocularis protein patched 0.0045 0.0825 0.0825
Schistosoma mansoni RAR-like nuclear receptor 0.0119 0.282 0.282
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.0304 0.0219
Schistosoma mansoni nuclear hormone receptor 0.0056 0.1135 0.1135
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0648 0.0828
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.1347 0.1347
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0119 0.282 0.282
Loa Loa (eye worm) hypothetical protein 0.0016 0.0061 0.01
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0119 0.282 0.461
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0531 0.0868
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0056 0.1135 0.1855
Brugia malayi hypothetical protein 0.0056 0.1135 0.1855
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0119 0.282 0.461
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0648 0.0648
Brugia malayi orphan nuclear receptor NR2E1 0.0056 0.1135 0.1855
Mycobacterium ulcerans hypothetical protein 0.0038 0.0648 0.4146
Schistosoma mansoni hypothetical protein 0.0043 0.0782 0.0782
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0199 0.0495
Schistosoma mansoni nuclear receptor 0.0056 0.1135 0.1135
Brugia malayi Nuclear hormone receptor-like 1 0.0119 0.282 0.461
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.1347 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0648 0.0828
Loa Loa (eye worm) hypothetical protein 0.0034 0.0531 0.0868
Loa Loa (eye worm) hypothetical protein 0.0056 0.1135 0.1855
Schistosoma mansoni hypothetical protein 0.0034 0.0531 0.0531
Loa Loa (eye worm) hypothetical protein 0.0056 0.1135 0.1855
Brugia malayi nuclear hormone receptor family member nhr-6 0.0056 0.1135 0.1855
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.1347 1
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0021 0.0199 0.201
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0648 0.106
Echinococcus multilocularis tissue type plasminogen activator 0.0021 0.0199 0.0199
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.3625 0.3625
Brugia malayi Calcium binding EGF domain containing protein 0.0016 0.0061 0.01
Schistosoma mansoni thyroid hormone receptor 0.0388 1 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.1071 0.1751
Mycobacterium tuberculosis Conserved protein 0.0038 0.0648 0.0828
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.1347 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0648 0.0828
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0158 0.0232
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.1071 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.3625 0.3625
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0531 0.0531
Loa Loa (eye worm) hypothetical protein 0.0119 0.282 0.461
Brugia malayi Nuclear hormone receptor-like 1 0.0063 0.1315 0.215
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.1347 0.1347
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0063 0.1315 0.215
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0158 0.0007
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.056 0.0823
Loa Loa (eye worm) hypothetical protein 0.0045 0.0825 0.1348
Loa Loa (eye worm) hypothetical protein 0.0038 0.0648 0.106
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.056 0.056
Schistosoma mansoni ap endonuclease 0.002 0.0158 0.0158
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.1347 0.1996
Loa Loa (eye worm) hypothetical protein 0.0107 0.2477 0.405
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0104 0.2414 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0648 0.0722
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0056 0.1135 0.1135
Loa Loa (eye worm) hypothetical protein 0.0056 0.1135 0.1855
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0149 0.3625 0.5323
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0119 0.282 0.461
Echinococcus multilocularis ecdysone induced protein 78C 0.0119 0.282 0.282
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.1071 0.1338
Loa Loa (eye worm) hypothetical protein 0.0056 0.1135 0.1855
Loa Loa (eye worm) hypothetical protein 0.0119 0.282 0.461
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0648 0.5394
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0056 0.1135 0.1666
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.1071 0.1071
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0119 0.282 0.282
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.1071 0.1071
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0056 0.1135 0.1135
Schistosoma mansoni hypothetical protein 0.0043 0.0782 0.0782
Schistosoma mansoni hypothetical protein 0.0269 0.681 0.681
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0119 0.282 0.282
Loa Loa (eye worm) hypothetical protein 0.0021 0.0199 0.0325
Loa Loa (eye worm) hypothetical protein 0.0055 0.1094 0.1788
Loa Loa (eye worm) TK/ROR protein kinase 0.0021 0.0199 0.0325
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0149 0.3625 0.5926
Schistosoma mansoni nuclear receptor nhr-48 0.0056 0.1135 0.1135
Loa Loa (eye worm) hypothetical protein 0.0056 0.1135 0.1855
Brugia malayi hypothetical protein 0.0056 0.1135 0.1855
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0531 0.078
Brugia malayi conserved hypotetical protein 0.0056 0.1135 0.1855
Brugia malayi nuclear receptor RXR 0.0063 0.1315 0.215
Brugia malayi Nuclear hormone receptor E75 0.0056 0.1135 0.1855
Trichomonas vaginalis set domain proteins, putative 0.0276 0.7014 1
Schistosoma mansoni DNA polymerase eta 0.002 0.0153 0.0153
Schistosoma mansoni egf-like domain protein 0.0016 0.0061 0.0061
Schistosoma mansoni nuclear hormone receptor 0.0056 0.1135 0.1135
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0119 0.282 0.282
Brugia malayi tailless protein 0.0056 0.1135 0.1855
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.2477 0.405
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0153 0.025
Onchocerca volvulus 0.0035 0.056 0.0799
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0119 0.282 0.461
Echinococcus granulosus dna polymerase eta 0.002 0.0153 0.0225
Onchocerca volvulus 0.0038 0.0648 0.0924
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0825 0.1211
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.1347 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1315 0.215
Brugia malayi steroid hormone receptor 0.0119 0.282 0.461
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0119 0.282 0.461
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0063 0.1315 0.1315
Loa Loa (eye worm) hypothetical protein 0.0063 0.1315 0.215
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.0304 0.0496
Brugia malayi Steroid receptor seven-up type 2 0.0119 0.282 0.461
Schistosoma mansoni ap endonuclease 0.002 0.0158 0.0158
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0119 0.282 0.282
Schistosoma mansoni coup transcription factor 0.0119 0.282 0.282
Trichomonas vaginalis esterase, putative 0.0038 0.0648 0.0722
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0119 0.282 0.461
Loa Loa (eye worm) hypothetical protein 0.0035 0.056 0.0916
Brugia malayi Nuclear hormone receptor-like 1 0.0063 0.1315 0.215

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.8 uM Inhibition of human factor 10a by spectrometry ChEMBL. 19181521
IC50 (binding) = 5.6 uM Inhibition of human tissue factor/factor 7a ChEMBL. 19181521
IC50 (binding) = 10 uM Inhibition of human factor 2a by spectrophotometry ChEMBL. 19181521

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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