Detailed information for compound 257357

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 567.963 | Formula: C25H20ClF4N4O3S-
  • H donors: 2 H acceptors: 4 LogP: 4.6 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: NCc1cccc(c1)n1nc(cc1C(=O)Nc1ccc(cc1F)c1ccccc1S(=O)(=O)C)C(F)(F)F.[Cl-]
  • InChi: 1S/C25H20F4N4O3S.ClH/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30;/h2-13H,14,30H2,1H3,(H,31,34);1H/p-1
  • InChiKey: LJBVKRYJJZQKGE-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Toxoplasma gondii pyruvate kinase PyK1 0.007 0.0782 0.1507
Brugia malayi Trypsin family protein 0.0058 0.0613 0.1169
Onchocerca volvulus 0.0058 0.0613 0.0993
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0073 0.0822 0.0822
Echinococcus multilocularis fibropellin Ia 0.0032 0.0239 0.0239
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0083 0.0975 1
Echinococcus multilocularis neurogenic locus notch protein 4 0.0032 0.0239 0.0239
Onchocerca volvulus 0.0058 0.0613 0.0993
Schistosoma mansoni pyruvate kinase 0.007 0.0782 0.0782
Loa Loa (eye worm) hypothetical protein 0.0377 0.5245 1
Schistosoma mansoni slit 0.0032 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.056 0.4744
Schistosoma mansoni cercarial elastase (S01 family) 0.0058 0.0613 0.0613
Toxoplasma gondii hypothetical protein 0.0029 0.0185 0.0287
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0109 0.1348 0.1348
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0109 0.1348 0.1348
Schistosoma mansoni cercarial elastase (S01 family) 0.0058 0.0613 0.0613
Giardia lamblia High cysteine protein 0.0032 0.0239 0.2632
Loa Loa (eye worm) hypothetical protein 0.0057 0.0593 0.1131
Schistosoma mansoni tar DNA-binding protein 0.007 0.0783 0.0783
Loa Loa (eye worm) PAN domain-containing protein 0.0023 0.0102 0.0195
Schistosoma mansoni cercarial elastase (S01 family) 0.0058 0.0613 0.0613
Onchocerca volvulus Huntingtin homolog 0.0123 0.1559 0.2832
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0109 0.1348 0.1348
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0256 0.0433
Schistosoma mansoni cercarial elastase (S01 family) 0.0058 0.0613 0.0613
Echinococcus multilocularis mitogen activated protein kinase 0.006 0.0647 0.0647
Onchocerca volvulus 0.0152 0.1977 0.3644
Brugia malayi MAP kinase sur-1 0.006 0.0647 0.1234
Schistosoma mansoni hypothetical protein 0.0032 0.0239 0.0239
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.006 0.0647 0.8171
Echinococcus multilocularis neurogenic locus protein delta 0.0032 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0058 0.0613 0.1169
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0029 0.0185 0.151
Leishmania major pyruvate kinase 0.007 0.0782 1
Echinococcus multilocularis tissue type plasminogen activator 0.0057 0.0593 0.0593
Loa Loa (eye worm) pyruvate kinase-PB 0.0049 0.0476 0.0907
Brugia malayi Calcium binding EGF domain containing protein 0.0032 0.0239 0.0455
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.007 0.0782 1
Schistosoma mansoni hypothetical protein 0.0058 0.0613 0.0613
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0256 0.0256
Echinococcus granulosus pyruvate kinase 0.0036 0.0289 0.0289
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0377 0.5245 0.5245
Loa Loa (eye worm) notch protein 0.0032 0.0239 0.0455
Schistosoma mansoni peptidase Clp (S14 family) 0.0083 0.0975 0.0975
Toxoplasma gondii microneme protein MIC17C 0.0023 0.0102 0.0119
Toxoplasma gondii hypothetical protein 0.0023 0.0102 0.0119
Loa Loa (eye worm) hypothetical protein 0.005 0.0498 0.0949
Loa Loa (eye worm) hypothetical protein 0.0023 0.0102 0.0195
Brugia malayi Probable ClpP-like protease 0.0083 0.0975 0.1859
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.0782 0.1322
Toxoplasma gondii PAN domain-containing protein 0.0023 0.0102 0.0119
Echinococcus granulosus fibropellin Ia 0.0032 0.0239 0.0239
Schistosoma mansoni laminin gamma-3 chain 0.0032 0.0239 0.0239
Brugia malayi PAN domain containing protein 0.0023 0.0102 0.0195
Schistosoma mansoni notch 0.0032 0.0239 0.0239
Brugia malayi Cytochrome P450 family protein 0.0052 0.0521 0.0994
Mycobacterium leprae Probable pyruvate kinase PykA 0.007 0.0782 0.7563
Schistosoma mansoni pyruvate kinase 0.0036 0.0289 0.0289
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0647 0.1711
Onchocerca volvulus Slit protein homolog 0.0032 0.0239 0.0265
Echinococcus multilocularis pyruvate kinase 0.0036 0.0289 0.0289
Schistosoma mansoni cercarial elastase (S01 family) 0.0058 0.0613 0.0613
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0032 0.0239 0.0239
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.0521 0.0994
Echinococcus multilocularis protein jagged 2 0.0032 0.0239 0.0239
Brugia malayi Calcium binding EGF domain containing protein 0.0065 0.0706 0.1346
Schistosoma mansoni survival motor neuron protein 0.0056 0.0585 0.0585
Brugia malayi Fibulin-1 precursor 0.0065 0.0706 0.1346
Brugia malayi hypothetical protein 0.0042 0.0378 0.0721
Brugia malayi CXXC zinc finger family protein 0.0029 0.0186 0.0354
Schistosoma mansoni ap endonuclease 0.0019 0.0044 0.0044
Schistosoma mansoni tar DNA-binding protein 0.007 0.0783 0.0783
Echinococcus granulosus notch 0.0032 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Brugia malayi Pyruvate kinase, muscle isozyme 0.007 0.0782 0.1491
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0065 0.0706 0.1346
Brugia malayi hypothetical protein 0.0123 0.1559 0.2972
Schistosoma mansoni pyruvate kinase 0.007 0.0782 0.0782
Loa Loa (eye worm) pyruvate kinase 0.007 0.0782 0.1491
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0083 0.0975 0.0975
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0032 0.0239 0.0455
Brugia malayi EGF-like domain containing protein 0.0032 0.0239 0.0455
Loa Loa (eye worm) trypsin family protein 0.0058 0.0613 0.1169
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0585 0.1116
Loa Loa (eye worm) hypothetical protein 0.0152 0.1977 0.3769
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0058 0.0613 0.1169
Onchocerca volvulus 0.0032 0.0239 0.0265
Echinococcus granulosus enteropeptidase 0.0104 0.1279 0.1279
Brugia malayi EGF-like domain containing protein 0.0032 0.0239 0.0455
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0104 0.1279 0.1279
Loa Loa (eye worm) hypothetical protein 0.0058 0.0613 0.1169
Schistosoma mansoni notch 0.0032 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Echinococcus multilocularis pyruvate kinase 0.0036 0.0289 0.0289
Plasmodium vivax pyruvate kinase 2, putative 0.0036 0.0289 0.2634
Brugia malayi TAR-binding protein 0.007 0.0783 0.1493
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.006 0.0647 0.1234
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.1174 0.1174
Brugia malayi Pre-SET motif family protein 0.023 0.3109 0.5928
Brugia malayi PAN domain containing protein 0.0023 0.0102 0.0195
Echinococcus granulosus protein jagged 2 0.0032 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0065 0.0706 0.1346
Mycobacterium ulcerans hypothetical protein 0.0058 0.0613 0.6112
Echinococcus multilocularis dnaJ subfamily B 0.0408 0.5697 0.5697
Echinococcus granulosus laminin 0.0065 0.0706 0.0706
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0058 0.0613 0.0613
Echinococcus multilocularis mitogen activated protein kinase 3 0.006 0.0647 0.0647
Brugia malayi Melibiase family protein 0.0073 0.0822 0.1568
Echinococcus granulosus glycoprotein Antigen 5 0.0104 0.1279 0.1279
Echinococcus multilocularis laminin 0.0065 0.0706 0.0706
Loa Loa (eye worm) hypothetical protein 0.0034 0.0256 0.0489
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0083 0.0975 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0782 0.1491
Schistosoma mansoni notch 0.0032 0.0239 0.0239
Brugia malayi Trypsin family protein 0.0058 0.0613 0.1169
Brugia malayi PAN domain containing protein 0.0023 0.0102 0.0195
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.006 0.0647 0.8171
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0058 0.0613 0.0613
Loa Loa (eye worm) hypothetical protein 0.0083 0.0975 0.1859
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Echinococcus multilocularis fat cadherin tumor suppressor 0.0032 0.0239 0.0239
Plasmodium falciparum cysteine repeat modular protein 1 0.0057 0.0593 0.5898
Entamoeba histolytica hypothetical protein 0.0042 0.0378 0.7733
Schistosoma mansoni hypothetical protein 0.0058 0.0613 0.0613
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.006 0.0647 0.8171
Brugia malayi Calcium binding EGF domain containing protein 0.0032 0.0239 0.0455
Toxoplasma gondii melibiase subfamily protein 0.0109 0.1348 0.2663
Loa Loa (eye worm) hypothetical protein 0.0377 0.5245 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0065 0.0706 0.1346
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0083 0.0975 1
Entamoeba histolytica hypothetical protein 0.0042 0.0378 0.7733
Loa Loa (eye worm) PAN domain-containing protein 0.0023 0.0102 0.0195
Onchocerca volvulus 0.0029 0.0186 0.0162
Schistosoma mansoni hypothetical protein 0.0705 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0102 0.0195
Schistosoma mansoni hypothetical protein 0.0032 0.0239 0.0239
Giardia lamblia Pyruvate kinase 0.0036 0.0289 0.3321
Toxoplasma gondii PAN domain-containing protein 0.0023 0.0102 0.0119
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0256 0.0256
Toxoplasma gondii PAN domain-containing protein 0.0023 0.0102 0.0119
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0378 0.0378
Brugia malayi EGF-like domain containing protein 0.0032 0.0239 0.0455
Brugia malayi Kringle domain containing protein 0.0057 0.0593 0.1131
Echinococcus multilocularis geminin 0.0705 1 1
Loa Loa (eye worm) pyruvate kinase 0.007 0.0782 0.1491
Brugia malayi GCC2 and GCC3 family protein 0.0032 0.0239 0.0455
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Onchocerca volvulus Arrow homolog 0.0065 0.0706 0.1174
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0023 0.0102 0.0195
Echinococcus granulosus survival motor neuron protein 1 0.0276 0.3769 0.3769
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0065 0.0706 0.0706
Brugia malayi Protein kinase domain containing protein 0.0057 0.0593 0.1131
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0109 0.1348 0.1348
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.1174 0.1174
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0083 0.0975 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.006 0.0647 0.1232
Brugia malayi hypothetical protein 0.0152 0.1977 0.3769
Loa Loa (eye worm) PAN domain-containing protein 0.0023 0.0102 0.0195
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.1174 0.1174
Echinococcus multilocularis protein jagged 1 0.0032 0.0239 0.0239
Brugia malayi Pre-SET motif family protein 0.0034 0.0256 0.0489
Giardia lamblia Kinase, CMGC MAPK 0.006 0.0647 0.8171
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0378 0.0378
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1174 0.1174
Loa Loa (eye worm) hypothetical protein 0.0065 0.0706 0.1346
Brugia malayi RNA recognition motif domain containing protein 0.007 0.0783 0.1493
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.023 0.3109 0.5928
Schistosoma mansoni cercarial elastase (S01 family) 0.0058 0.0613 0.0613
Mycobacterium ulcerans pyruvate kinase 0.007 0.0782 0.7931
Echinococcus granulosus transmembrane protease serine 3 0.0058 0.0613 0.0613
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.067 0.067
Trichomonas vaginalis pyruvate kinase, putative 0.007 0.0782 0.2094
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0054 0.056 0.6982
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0256 0.0256
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0058 0.0613 0.0613
Brugia malayi Muscle positioning protein 4 0.0032 0.0239 0.0455
Echinococcus multilocularis neural cadherin 0.0032 0.0239 0.0239
Leishmania major hypothetical protein, conserved 0.0057 0.0593 0.7436
Brugia malayi Trypsin family protein 0.0058 0.0613 0.1169
Schistosoma mansoni hypothetical protein 0.0032 0.0239 0.0239
Schistosoma mansoni notch 0.0032 0.0239 0.0239
Onchocerca volvulus 0.0262 0.3569 0.6741
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.006 0.0647 0.8171
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0256 0.0256
Toxoplasma gondii EGF family domain-containing protein 0.0032 0.0239 0.0397
Schistosoma mansoni cpg binding protein 0.0029 0.0186 0.0186
Echinococcus granulosus protein jagged 1 0.0032 0.0239 0.0239
Echinococcus granulosus neurogenic locus notch protein 4 0.0032 0.0239 0.0239
Onchocerca volvulus 0.0056 0.0585 0.0939
Onchocerca volvulus 0.0377 0.5245 1
Brugia malayi Cadherin domain containing protein 0.0032 0.0239 0.0455
Toxoplasma gondii PAN domain-containing protein 0.0356 0.494 1
Echinococcus multilocularis slit 2 protein 0.0032 0.0239 0.0239
Onchocerca volvulus 0.0058 0.0613 0.0993
Plasmodium falciparum pyruvate kinase 2 0.0036 0.0289 0.2634
Schistosoma mansoni serine/threonine protein kinase 0.006 0.0647 0.0647
Loa Loa (eye worm) hypothetical protein 0.0065 0.0706 0.1346
Echinococcus granulosus slit 2 protein 0.0032 0.0239 0.0239
Brugia malayi Pyruvate kinase, M2 isozyme 0.007 0.0782 0.1491
Loa Loa (eye worm) hypothetical protein 0.0058 0.0613 0.1169
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Brugia malayi PAN domain containing protein 0.0023 0.0102 0.0195
Loa Loa (eye worm) hypothetical protein 0.0123 0.1559 0.2972
Toxoplasma gondii microneme protein MIC17B 0.0023 0.0102 0.0119
Toxoplasma gondii microneme protein MIC4 0.0023 0.0102 0.0119
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0256 0.0256
Schistosoma mansoni hypothetical protein 0.0034 0.0267 0.0267
Schistosoma mansoni hypothetical protein 0.0032 0.0239 0.0239
Schistosoma mansoni tar DNA-binding protein 0.007 0.0783 0.0783
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0054 0.056 0.6982
Brugia malayi hypothetical protein 0.0276 0.3769 0.7185
Schistosoma mansoni cercarial elastase (S01 family) 0.0058 0.0613 0.0613
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0109 0.1348 0.1348
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0058 0.0613 0.0613
Schistosoma mansoni cpg binding protein 0.003 0.021 0.021
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.1174 0.1174
Schistosoma mansoni cercarial elastase (S01 family) 0.0058 0.0613 0.0613
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0065 0.0706 0.1346
Toxoplasma gondii PAN domain-containing protein 0.0356 0.494 1
Echinococcus multilocularis neurogenic locus notch protein 0.0032 0.0239 0.0239
Echinococcus multilocularis tar DNA binding protein 0.007 0.0783 0.0783
Schistosoma mansoni egf-like domain protein 0.0065 0.0706 0.0706
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1174 0.1174
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0058 0.0613 0.0613
Schistosoma mansoni tar DNA-binding protein 0.007 0.0783 0.0783
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Loa Loa (eye worm) hypothetical protein 0.0073 0.0822 0.1568
Echinococcus granulosus protein jagged 1 0.0032 0.0239 0.0239
Brugia malayi PAN domain containing protein 0.0023 0.0102 0.0195
Loa Loa (eye worm) hypothetical protein 0.0276 0.3769 0.7185
Brugia malayi EGF-like domain containing protein 0.0032 0.0239 0.0455
Entamoeba histolytica hypothetical protein 0.0042 0.0378 0.7733
Echinococcus multilocularis pyruvate kinase 0.0055 0.0569 0.0569
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0083 0.0975 1
Trypanosoma brucei protein kinase, putative 0.006 0.0647 0.8171
Plasmodium vivax SET domain protein, putative 0.0034 0.0256 0.228
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0058 0.0613 0.0613
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.1174 0.2238
Schistosoma mansoni hypothetical protein 0.0705 1 1
Echinococcus multilocularis neurogenic locus protein delta 0.0032 0.0239 0.0239
Echinococcus granulosus mitogen activated protein kinase 0.006 0.0647 0.0647
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0267 0.051
Echinococcus multilocularis fibrillin 1 0.0065 0.0706 0.0706
Loa Loa (eye worm) PAN domain-containing protein 0.0023 0.0102 0.0195
Onchocerca volvulus Putative cubilin 0.0032 0.0239 0.0265
Entamoeba histolytica hypothetical protein 0.0042 0.0378 0.7733
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0083 0.0975 1
Brugia malayi Trypsin family protein 0.0377 0.5245 1
Echinococcus granulosus Tolloid protein 1 0.0065 0.0706 0.0706
Brugia malayi PAN domain containing protein 0.0023 0.0102 0.0195
Echinococcus granulosus delta-like protein 1 0.0032 0.0239 0.0239
Echinococcus granulosus pyruvate kinase 0.007 0.0782 0.0782
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0498 0.0949
Onchocerca volvulus 0.0058 0.0613 0.0993
Onchocerca volvulus 0.0032 0.0239 0.0265
Toxoplasma gondii PAN domain-containing protein 0.0023 0.0102 0.0119
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0044 0.0044
Loa Loa (eye worm) Notch2 0.0032 0.0239 0.0455
Onchocerca volvulus 0.0032 0.0239 0.0265
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0185 0.151
Onchocerca volvulus 0.0032 0.0239 0.0265
Schistosoma mansoni ap endonuclease 0.0019 0.0044 0.0044
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0576 0.1085
Schistosoma mansoni cercarial elastase (S01 family) 0.0058 0.0613 0.0613
Schistosoma mansoni notch 0.0032 0.0239 0.0239
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0057 0.0593 0.5898
Trypanosoma brucei pyruvate kinase 1, putative 0.007 0.0782 1
Brugia malayi PAN domain containing protein 0.0023 0.0102 0.0195
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.023 0.023
Brugia malayi PAN domain containing protein 0.0023 0.0102 0.0195
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.006 0.0647 0.8171
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Schistosoma mansoni hypothetical protein 0.0057 0.0593 0.0593
Brugia malayi Calcium binding EGF domain containing protein 0.0032 0.0239 0.0455
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.0783 0.1493
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0058 0.0613 0.0613
Loa Loa (eye worm) hypothetical protein 0.0058 0.0613 0.1169
Loa Loa (eye worm) PAN domain-containing protein 0.0023 0.0102 0.0195
Schistosoma mansoni cercarial elastase (S01 family) 0.0058 0.0613 0.0613
Brugia malayi notch-like transmembrane receptor 0.0032 0.0239 0.0455
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.0975 1
Brugia malayi PAN domain containing protein 0.0023 0.0102 0.0195
Brugia malayi RNA binding protein 0.007 0.0783 0.1493
Echinococcus multilocularis neurogenic locus notch protein 0.0032 0.0239 0.0239
Echinococcus granulosus neurogenic locus protein delta 0.0032 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0377 0.5245 0.5245
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0058 0.0613 0.0613
Toxoplasma gondii PAN/Apple domain-containing protein 0.0023 0.0102 0.0119
Echinococcus multilocularis survival motor neuron protein 1 0.0276 0.3769 0.3769
Onchocerca volvulus 0.0058 0.0613 0.0993
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.056 0.056
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0647 0.1711
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.006 0.0647 0.8171
Echinococcus granulosus dnaJ subfamily B 0.0408 0.5697 0.5697
Toxoplasma gondii calcium binding egf domain-containing protein 0.0065 0.0706 0.1351
Brugia malayi PAN domain containing protein 0.0023 0.0102 0.0195
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.0975 0.1901
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0065 0.0706 0.1346
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.0782 0.1322
Schistosoma mansoni cercarial elastase (S01 family) 0.0058 0.0613 0.0613
Brugia malayi EGF-like domain containing protein 0.0032 0.0239 0.0455
Toxoplasma gondii subtilisin SUB12 0.0023 0.0102 0.0119
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0647 0.1711
Giardia lamblia Pyruvate kinase 0.007 0.0782 1
Onchocerca volvulus Huntingtin homolog 0.0123 0.1559 0.2832
Echinococcus multilocularis Mastin 0.0104 0.1279 0.1279
Loa Loa (eye worm) hypothetical protein 0.0023 0.0102 0.0195
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0073 0.0822 0.2207
Brugia malayi Cadherin domain containing protein 0.0032 0.0239 0.0455
Echinococcus granulosus neurogenic locus notch protein 0.0032 0.0239 0.0239
Loa Loa (eye worm) TAR-binding protein 0.007 0.0783 0.1493
Echinococcus granulosus cpg binding protein 0.003 0.021 0.021
Trichomonas vaginalis set domain proteins, putative 0.0262 0.3569 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.006 0.0647 0.8171
Echinococcus granulosus tissue type plasminogen activator 0.0057 0.0593 0.0593
Schistosoma mansoni hypothetical protein 0.0032 0.0239 0.0239
Schistosoma mansoni hypothetical protein 0.0056 0.0585 0.0585
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Echinococcus granulosus neurogenic locus notch protein 0.0032 0.0239 0.0239
Echinococcus multilocularis notch 0.0032 0.0239 0.0239
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.0975 1
Schistosoma mansoni cpg binding protein 0.003 0.021 0.021
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0109 0.1348 0.1348
Toxoplasma gondii microneme protein, putative 0.0023 0.0102 0.0119
Toxoplasma gondii kringle domain-containing protein 0.0057 0.0593 0.1121
Echinococcus multilocularis protein jagged 1 0.0032 0.0239 0.0239
Echinococcus multilocularis pyruvate kinase 0.007 0.0782 0.0782
Echinococcus granulosus pyruvate kinase 0.0036 0.0289 0.0289
Trypanosoma brucei pyruvate kinase 1 0.007 0.0782 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0083 0.0975 0.0975
Trypanosoma cruzi pyruvate kinase 2, putative 0.007 0.0782 1
Schistosoma mansoni hypothetical protein 0.0032 0.0239 0.0239
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0073 0.0822 0.0822
Schistosoma mansoni notch 0.0032 0.0239 0.0239
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0021 0.0076 0.0145
Schistosoma mansoni hypothetical protein 0.0032 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0023 0.0102 0.0195
Loa Loa (eye worm) hypothetical protein 0.0023 0.0102 0.0195
Schistosoma mansoni cell polarity protein 0.0032 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0044 0.0084
Echinococcus multilocularis Tolloid protein 1 0.0065 0.0706 0.0706
Brugia malayi Delta serrate ligand family protein 0.0032 0.0239 0.0455
Echinococcus granulosus neural cadherin 0.0032 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0034 0.0267 0.051
Toxoplasma gondii microneme protein MIC17A 0.0023 0.0102 0.0119
Brugia malayi EGF-like domain containing protein 0.0032 0.0239 0.0455
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.0975 0.1901
Echinococcus multilocularis pyruvate kinase 0.0036 0.0289 0.0289
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0378 0.0378
Onchocerca volvulus 0.0034 0.0256 0.0299
Toxoplasma gondii calcium binding egf domain-containing protein 0.0065 0.0706 0.1351
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0593 0.7436
Echinococcus granulosus mitogen activated protein kinase 3 0.006 0.0647 0.0647
Toxoplasma gondii pyruvate kinase PyKII 0.0036 0.0289 0.0501
Echinococcus granulosus pyruvate kinase 0.007 0.0782 0.0782
Toxoplasma gondii hypothetical protein 0.0023 0.0102 0.0119
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0498 0.0949
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1174 0.1174
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0083 0.0975 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0058 0.0613 0.0613
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.1174 0.2238
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0032 0.0239 0.0265
Leishmania major pyruvate kinase 0.007 0.0782 1
Echinococcus granulosus protein jagged 2 0.0032 0.0239 0.0239
Schistosoma mansoni hypothetical protein 0.0408 0.5697 0.5697
Entamoeba histolytica pyruvate kinase, putative 0.0049 0.0476 1
Loa Loa (eye worm) pyruvate kinase 0.007 0.0782 0.1491
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0186 0.0354
Loa Loa (eye worm) RNA binding protein 0.007 0.0783 0.1493
Onchocerca volvulus Neurogenic locus notch homolog 0.0032 0.0239 0.0265
Loa Loa (eye worm) hypothetical protein 0.0023 0.0102 0.0195
Schistosoma mansoni septate junction protein 0.0032 0.0239 0.0239
Brugia malayi hypothetical protein 0.0058 0.0613 0.1169
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0044 0.0084
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0065 0.0706 0.1346
Echinococcus granulosus pyruvate kinase 0.0036 0.0289 0.0289
Plasmodium falciparum pyruvate kinase 0.007 0.0782 0.7931
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0058 0.0613 0.1169
Loa Loa (eye worm) hypothetical protein 0.0049 0.0476 0.0907
Brugia malayi Trypsin-like protease protein 5 0.0058 0.0613 0.1169
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Loa Loa (eye worm) hypothetical protein 0.0123 0.1559 0.2972
Schistosoma mansoni hypothetical protein 0.0042 0.0378 0.0378
Loa Loa (eye worm) TK/ROR protein kinase 0.0057 0.0593 0.1131
Onchocerca volvulus 0.0032 0.0239 0.0265
Onchocerca volvulus 0.0319 0.4402 0.836
Plasmodium vivax pyruvate kinase, putative 0.007 0.0782 0.7931
Echinococcus multilocularis glycoprotein Antigen 5 0.0104 0.1279 0.1279
Echinococcus granulosus tar DNA binding protein 0.007 0.0783 0.0783
Echinococcus multilocularis enteropeptidase 0.0104 0.1279 0.1279
Onchocerca volvulus 0.0057 0.0593 0.0954
Trichomonas vaginalis pyruvate kinase, putative 0.007 0.0782 0.2094
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.0782 0.1322
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0498 0.0949
Loa Loa (eye worm) hypothetical protein 0.0065 0.0706 0.1346
Echinococcus multilocularis transmembrane protease serine 3 0.0058 0.0613 0.0613
Echinococcus granulosus Mastin 0.0104 0.1279 0.1279
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.056 0.056
Loa Loa (eye worm) hypothetical protein 0.0032 0.0239 0.0455
Brugia malayi EGF-like domain containing protein 0.0032 0.0239 0.0455
Echinococcus multilocularis pyruvate kinase 0.007 0.0782 0.0782
Echinococcus multilocularis cpg binding protein 0.003 0.021 0.021
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0185 0.151
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0109 0.1348 0.1348
Schistosoma mansoni tar DNA-binding protein 0.007 0.0783 0.0783
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0647 0.1711
Trypanosoma cruzi pyruvate kinase 2, putative 0.007 0.0782 1
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0023 0.0102 0.0119

Activities

Activity type Activity value Assay description Source Reference
APTT (functional) = 4.86 uM In vitro activated partial thromboplastin time of the compound. ChEMBL. 11170646
Bound (ADMET) = 89 % Tested for human plasma protein binding of the compound ChEMBL. 14640539
Cl (ADMET) = 0.24 l hr-1 kg-1 Clearance in intravenously dosed beagle dogs. ChEMBL. 11170646
Cl (ADMET) = 0.24 l hr-1 kg-1 Tested for clearance of the compound in dog upon intravenous administration ChEMBL. 14640539
F (ADMET) = 57 % Oral bioavailability in orally dosed beagle dogs of 0.2 mg/kg ChEMBL. 11170646
F (ADMET) = 57 % Bioavailability (p.o. dosing) ChEMBL. 14640539
HPB (functional) = 89 Human protein binding affinity of the compound. ChEMBL. 11170646
IC2x (functional) = 1.7 uM Tested in vitro for rabbit activated partial thromboplastin time (APTT) by clotting assay ChEMBL. 14640539
IC2x (functional) = 4.86 uM human activated partial thromboplastin time (APTT) ChEMBL. 14640539
IC50 (binding) = 44000 nM In vitro activity against human Complement factor I ChEMBL. 11170646
IC50 (functional) = 0.15 uM Inhibition of thrombus formation in rabbits. ChEMBL. 11170646
ID50 (functional) = 1.1 uM hr-1 kg-1 Antithrombotic efficacy in a rabbit arteriovenous shunt thrombosis model. ChEMBL. 11170646
ID50 (functional) = 1.1 uM hr-1 kg-1 Tested for inhibition of thrombus formation in rabbit model of arteriovenous shunt thrombosis ChEMBL. 14640539
Ki (binding) = 0.15 nM Tested in vitro for inhibition of human Coagulation factor X ChEMBL. 14640539
Ki (binding) = 0.15 nM Binding affinity to human f10a ChEMBL. 16682200
Ki (binding) = 0.3 nM In vitro activity against rabbit factor Xa ChEMBL. 11170646
Ki (binding) = 0.3 nM Tested in vitro for inhibition of rabbit Coagulation factor X ChEMBL. 14640539
Ki (binding) = 60 nM In vitro activity against human trypsin. ChEMBL. 11170646
Ki (binding) = 60 nM Tested in vitro for inhibition of human trypsin ChEMBL. 14640539
Ki (binding) = 61 nM In vitro activity against human Plasma kallikrein. ChEMBL. 11170646
Ki (binding) = 61 nM Tested in vitro for inhibition of human plasma Kallikriene ChEMBL. 14640539
Ki (binding) = 1800 nM In vitro activity against human Activated protein C ChEMBL. 11170646
Ki (binding) = 1800 nM Tested in vitro for inhibition of human activated protein C ChEMBL. 14640539
Ki (binding) = 2200 nM In vitro activity against human factor IXa ChEMBL. 11170646
Ki (binding) = 2200 nM Tested in vitro for inhibition of human Coagulation factor IX ChEMBL. 14640539
Ki (binding) = 6000 nM In vitro activity against human thrombin. ChEMBL. 11170646
Ki (binding) = 6000 nM In vitro for inhibition of human thrombin ChEMBL. 14640539
Ki (binding) > 15000 nM The compound was tested for inhibition of human coagulation factor VII ChEMBL. 11170646
Ki (binding) > 15000 nM Tested in vitro for inhibition of human Coagulation factor VII ChEMBL. 14640539
Ki (binding) > 17000 nM In vitro activity against human Chymotrypsinogen B1 ChEMBL. 11170646
Ki (binding) > 17000 nM Tested in vitro for inhibition of human Chymotrypsinogen ChEMBL. 14640539
Ki (binding) > 19000 nM In vitro activity against human urokinase ChEMBL. 11170646
Ki (binding) > 19000 nM Tested in vitro for inhibition of human Urokinase-type plasminogen activator ChEMBL. 14640539
Ki (binding) > 35000 nM In vitro activity against human plasmin ChEMBL. 11170646
Ki (binding) > 35000 nM Tested in vitro for inhibition of human plasmin ChEMBL. 14640539
Ki (binding) > 45000 nM In vitro activity against human tissue plasminogen activator ChEMBL. 11170646
Ki (binding) > 45000 nM Tested in vitro for inhibition of human Tissue type plasminogen activator ChEMBL. 14640539
Ki (binding) = 0.15 uM Binding affinity against human coagulation factor X ChEMBL. 11170646
Papp (ADMET) = 0.00000486 cm s-1 Caco-2 permeability coefficient. ChEMBL. 11170646
Papp (ADMET) = 4.9 cm s-1 Tested for permeability of the compound across Caco monolayers of intestinal mucosa of dog ChEMBL. 14640539
T1/2 (ADMET) = 7.5 hr Half life of the compound in intravenously dosed beagle dogs. ChEMBL. 11170646
T1/2 (ADMET) = 7.5 hr Tested for half life of the compound in dog upon intravenous administration ChEMBL. 14640539
Vdss (ADMET) = 0.9 l kg-1 Volume of distribution in intravenously dosed beagle dogs. ChEMBL. 11170646
Vdss (ADMET) = 0.9 l kg-1 Volume of distribution of the compound was determined in dog upon intravenous administration ChEMBL. 14640539

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

3 literature references were collected for this gene.

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