Detailed information for compound 1092901

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 464.424 | Formula: C23H18F2N6O3
  • H donors: 2 H acceptors: 7 LogP: 3.54 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(cc(n1)C(=O)NCc1ccc(c(c1)F)F)c1nnn(n1)Cc1ccc(cc1)C(=O)O
  • InChi: 1S/C23H18F2N6O3/c1-13-8-17(10-20(27-13)22(32)26-11-15-4-7-18(24)19(25)9-15)21-28-30-31(29-21)12-14-2-5-16(6-3-14)23(33)34/h2-10H,11-12H2,1H3,(H,26,32)(H,33,34)
  • InChiKey: DDIZQGYTODZYGV-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 matrix metallopeptidase 13 (collagenase 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus matrix metallopeptidase 7 M10 family matrix metallopeptidase 13 (collagenase 3) 471 aa 448 aa 34.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0008 0.0017 0.0009
Trichomonas vaginalis CAMK family protein kinase 0.011 0.1202 0.9614
Brugia malayi hypothetical protein 0.0488 0.562 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.01 0.1085 0.1916
Schistosoma mansoni hypothetical protein 0.0032 0.0291 0.06
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.0282 0.7164
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0159 0.0264
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.1103 0.1948
Plasmodium falciparum pyruvate kinase 2 0.0018 0.0136 0.3225
Entamoeba histolytica pyruvate kinase, putative 0.0025 0.0212 0.1586
Echinococcus multilocularis GPCR, family 2 0.0032 0.0297 0.0289
Onchocerca volvulus 0.0029 0.0258 0.1354
Loa Loa (eye worm) hypothetical protein 0.0008 0.0017 0.0011
Plasmodium vivax pyruvate kinase 2, putative 0.0018 0.0136 0.3225
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0032 0.0297 0.2275
Echinococcus multilocularis musashi 0.0029 0.0258 0.0251
Loa Loa (eye worm) hypothetical protein 0.0161 0.1801 0.3192
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.012 0.0112
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0258 0.0442
Loa Loa (eye worm) matrixin family protein 0.0064 0.0666 0.1168
Echinococcus granulosus dnaJ subfamily B 0.0413 0.4743 0.8438
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0017 0.0011
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0043 0.0485
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0159 0.2594
Trichomonas vaginalis CAMK family protein kinase 0.011 0.1202 0.9614
Trichomonas vaginalis CAMK family protein kinase 0.0054 0.0556 0.445
Brugia malayi isocitrate dehydrogenase 0.0017 0.012 0.0194
Brugia malayi hypothetical protein 0.0161 0.1801 0.3192
Schistosoma mansoni hypothetical protein 0.0037 0.0359 0.0742
Schistosoma mansoni neutral sphingomyelinase 0.0008 0.0017 0.002
Schistosoma mansoni DNA helicase recq5 0.002 0.0159 0.032
Brugia malayi serine/threonine-protein kinase plk-2 0.011 0.1202 0.2123
Trichomonas vaginalis CAMK family protein kinase 0.011 0.1202 0.9614
Loa Loa (eye worm) hypothetical protein 0.0032 0.0292 0.0501
Schistosoma mansoni hypothetical protein 0.0043 0.0429 0.0891
Echinococcus multilocularis Niemann Pick C1 protein 0.015 0.1672 0.1666
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0448 0.0786
Trichomonas vaginalis Phospholipase C precursor, putative 0.0008 0.0017 0.0135
Schistosoma mansoni carbon catabolite repressor protein 0.0008 0.0017 0.002
Giardia lamblia Pyruvate kinase 0.0018 0.0136 0.1006
Schistosoma mansoni pyruvate kinase 0.0036 0.0338 0.0698
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.001 0.0043 0.0215
Trichomonas vaginalis CAMK family protein kinase 0.011 0.1202 0.9614
Echinococcus multilocularis protein dispatched 1 0.0051 0.0523 0.0516
Toxoplasma gondii exonuclease III APE 0.004 0.0387 0.6751
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0387 0.3093
Brugia malayi intermediate filament protein 0.0029 0.0258 0.0442
Echinococcus multilocularis pyruvate kinase 0.0018 0.0136 0.0129
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.073 0.1282
Echinococcus granulosus lamin dm0 0.0029 0.0258 0.0447
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0008 0.0017 0.0135
Loa Loa (eye worm) hypothetical protein 0.0013 0.0079 0.0122
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0282 0.2254
Onchocerca volvulus Matrilysin homolog 0.0058 0.0604 0.3293
Schistosoma mansoni serine/threonine protein kinase 0.011 0.1202 0.2522
Entamoeba histolytica recQ family helicase, putative 0.002 0.0159 0.1152
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0159 0.1271
Echinococcus granulosus synaptojanin 1 0.0008 0.0017 0.0017
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0159 0.1271
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0008 0.0017 0.0135
Schistosoma mansoni cpg binding protein 0.0031 0.0281 0.0578
Echinococcus multilocularis survival motor neuron protein 1 0.0488 0.562 0.5617
Echinococcus granulosus neutral sphingomyelinase 0.0008 0.0017 0.0017
Loa Loa (eye worm) 6-phosphofructokinase 0.0114 0.125 0.2209
Schistosoma mansoni lamin 0.0029 0.0258 0.053
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.012 0.0834
Loa Loa (eye worm) hypothetical protein 0.0008 0.0017 0.0011
Echinococcus multilocularis bloom syndrome protein 0.002 0.0159 0.0152
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0159 0.2594
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0017 0.0011
Loa Loa (eye worm) 6-phosphofructokinase 0.0114 0.125 0.2209
Onchocerca volvulus Serine\/threonine kinase homolog 0.011 0.1202 0.6641
Schistosoma mansoni hypothetical protein 0.018 0.2029 0.4269
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0114 0.125 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.011 0.1202 0.2128
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0039 0.0066
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0043 0.0076
Brugia malayi Niemann-Pick C1 protein precursor 0.0105 0.1147 0.2025
Toxoplasma gondii 6-phosphofructokinase 0.0031 0.0282 0.4837
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0387 0.0379
Trypanosoma brucei pyruvate kinase 1 0.0036 0.0338 0.2603
Schistosoma mansoni hypothetical protein 0.0069 0.073 0.1526
Loa Loa (eye worm) hypothetical protein 0.0045 0.0448 0.078
Loa Loa (eye worm) hypothetical protein 0.0069 0.073 0.1282
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0105 0.1147 0.9163
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0039 0.0401
Onchocerca volvulus Matrix metalloproteinase homolog 0.0058 0.0604 0.3293
Echinococcus multilocularis traf and tnf receptor associated protein 0.0008 0.0017 0.0009
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0031 0.0282 0.2254
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0008 0.0017 0.0009
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0008 0.0017 0.0017
Trypanosoma brucei polo-like protein kinase 0.011 0.1202 0.9609
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0008 0.0017 0.0135
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0031 0.0282 0.2148
Trichomonas vaginalis CAMK family protein kinase 0.011 0.1202 0.9614
Loa Loa (eye worm) hypothetical protein 0.0488 0.562 1
Toxoplasma gondii pyruvate kinase PyK1 0.0036 0.0338 0.5862
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.0282 0.7164
Echinococcus granulosus expressed conserved protein 0.0098 0.1073 0.1898
Schistosoma mansoni ap endonuclease 0.004 0.0387 0.0801
Loa Loa (eye worm) hypothetical protein 0.0032 0.0297 0.051
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0297 0.0289
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0387 0.2998
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0338 0.0583
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0017 0.0011
Loa Loa (eye worm) hypothetical protein 0.0029 0.0258 0.0442
Loa Loa (eye worm) pyruvate kinase-PB 0.0025 0.0212 0.036
Echinococcus multilocularis lamin dm0 0.0029 0.0258 0.0251
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0387 0.5
Schistosoma mansoni synaptojanin 0.0008 0.0017 0.002
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.012 0.0834
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0031 0.0282 0.2235
Brugia malayi Matrixin family protein 0.0026 0.023 0.0392
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0159 0.027
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0448 0.0786
Echinococcus multilocularis protein patched 0.0045 0.0448 0.0441
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0159 0.0264
Brugia malayi phosphofructokinase 0.0114 0.125 0.2209
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0387 0.0936
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0159 0.1271
Loa Loa (eye worm) hypothetical protein 0.0014 0.0085 0.0133
Loa Loa (eye worm) hypothetical protein 0.0028 0.0252 0.0431
Schistosoma mansoni hypothetical protein 0.0032 0.0297 0.0611
Brugia malayi CHE-14 protein 0.0045 0.0448 0.078
Echinococcus multilocularis pyruvate kinase 0.0018 0.0136 0.0129
Schistosoma mansoni hypothetical protein 0.0032 0.0291 0.06
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0387 1
Schistosoma mansoni cpg binding protein 0.0031 0.0281 0.0578
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0008 0.0017 0.0135
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0387 0.067
Brugia malayi Isocitrate dehydrogenase 0.0017 0.012 0.0194
Entamoeba histolytica phosphofructokinase, putative 0.0114 0.125 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0103 0.0164
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0114 0.125 1
Brugia malayi tumor suppressor. 0.0373 0.4276 0.7603
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1006 0.2109
Schistosoma mansoni cpg binding protein 0.0029 0.0262 0.0537
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0028 0.0031
Schistosoma mansoni DNA helicase recq1 0.002 0.0159 0.032
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0159 0.0152
Schistosoma mansoni hypothetical protein 0.0043 0.0429 0.0891
Brugia malayi hypothetical protein 0.0032 0.0292 0.0501
Echinococcus granulosus lamin 0.0029 0.0258 0.0447
Leishmania major pyruvate kinase 0.0036 0.0338 0.2603
Echinococcus multilocularis pyruvate kinase 0.0028 0.0251 0.0243
Echinococcus multilocularis deoxyribonuclease 1 2 0.0008 0.0017 0.0009
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0297 0.0289
Entamoeba histolytica recQ family DNA helicase 0.001 0.0043 0.0215
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0031 0.0282 0.4837
Echinococcus granulosus intermediate filament protein 0.0029 0.0258 0.0447
Loa Loa (eye worm) hypothetical protein 0.0026 0.023 0.0392
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.0338 0.2603
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0641 0.1338
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.012 0.0834
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0114 0.125 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0105 0.1147 0.114
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0008 0.0017 0.0009
Plasmodium falciparum pyruvate kinase 0.0036 0.0338 0.8683
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.0282 0.7164
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0026 0.023 0.0471
Echinococcus granulosus hypothetical protein 0.0032 0.0291 0.0506
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.125 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.1103 0.1948
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0338 0.2703
Schistosoma mansoni hypothetical protein 0.01 0.1085 0.2276
Loa Loa (eye worm) hypothetical protein 0.0026 0.023 0.0392
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0096 0.104 0.184
Brugia malayi CCR4 0.0008 0.0017 0.0011
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0036 0.0338 0.2603
Schistosoma mansoni kinase 0.0056 0.0573 0.1194
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0297 0.051
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0282 0.2254
Brugia malayi Matrixin family protein 0.0064 0.0666 0.1168
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1006 0.2109
Echinococcus granulosus Niemann Pick C1 protein 0.015 0.1672 0.2965
Loa Loa (eye worm) tumor suppressor 0.0373 0.4276 0.7603
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.125 1
Loa Loa (eye worm) phosphofructokinase 0.0114 0.125 0.2209
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0448 0.3587
Loa Loa (eye worm) hypothetical protein 0.0008 0.0017 0.0011
Echinococcus multilocularis synaptojanin 1 0.0008 0.0017 0.0009
Schistosoma mansoni cript-related 0.0008 0.0017 0.002
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0387 0.2998
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0043 0.0718
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0387 0.3093
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0032 0.0297 0.0511
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0297 0.051
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0114 0.125 1
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.012 0.1877
Echinococcus granulosus cpg binding protein 0.0031 0.0281 0.0488
Brugia malayi CXXC zinc finger family protein 0.0029 0.0262 0.0448
Plasmodium vivax ATP-dependent DNA helicase Q1, putative 0.001 0.0039 0.0595
Schistosoma mansoni hypothetical protein 0.0032 0.0297 0.0611
Toxoplasma gondii pyruvate kinase PyKII 0.0018 0.0136 0.2177
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0387 0.067
Echinococcus granulosus 6 phosphofructokinase 0.0114 0.125 0.2214
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.1006 0.0999
Trichomonas vaginalis CAMK family protein kinase 0.0054 0.0556 0.445
Onchocerca volvulus 0.01 0.1085 0.5988
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0114 0.125 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0387 0.0676
Onchocerca volvulus 0.0029 0.0262 0.1373
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.012 0.0834
Echinococcus multilocularis expressed conserved protein 0.0098 0.1073 0.1066
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0008 0.0017 0.0135
Schistosoma mansoni survival motor neuron protein 0.01 0.1085 0.2276
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0159 0.1152
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0159 0.3842
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0387 0.2998
Trichomonas vaginalis CAMK family protein kinase 0.011 0.1202 0.9614
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.125 1
Schistosoma mansoni hypothetical protein 0.018 0.2029 0.4269
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0017 0.0011
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.1006 0.1779
Echinococcus granulosus pyruvate kinase 0.0036 0.0338 0.0589
Brugia malayi Matrixin family protein 0.0026 0.023 0.0392
Echinococcus multilocularis protein quaking 0.0032 0.0291 0.0284
Loa Loa (eye worm) hypothetical protein 0.0025 0.0212 0.036
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.001 0.0043 0.0215
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0387 1
Trichomonas vaginalis CAMK family protein kinase 0.011 0.1202 0.9614
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.012 0.0834
Schistosoma mansoni ap endonuclease 0.004 0.0387 0.0801
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0011 0.0049 0.0068
Echinococcus granulosus protein quaking 0.0032 0.0291 0.0506
Schistosoma mansoni hypothetical protein 0.0008 0.0017 0.002
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.1006 0.1774
Entamoeba histolytica serine/threonine protein kinase, putative 0.011 0.1202 0.9609
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.1006 0.1774
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.012 0.2781
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.012 0.0237
Schistosoma mansoni intermediate filament proteins 0.0029 0.0258 0.053
Echinococcus granulosus pyruvate kinase 0.0018 0.0136 0.0229
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0262 0.0448
Echinococcus multilocularis neutral sphingomyelinase 0.0008 0.0017 0.0009
Echinococcus multilocularis lamin 0.0029 0.0258 0.0251
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.012 0.0194
Brugia malayi Pyruvate kinase, M2 isozyme 0.0036 0.0338 0.0583
Brugia malayi Temporarily assigned gene name protein 44 0.0032 0.0292 0.0501
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0297 0.0515
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.012 0.1877
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0338 0.0583
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0159 0.1199
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0282 0.2254
Onchocerca volvulus 0.0026 0.023 0.1197
Entamoeba histolytica recQ family helicase, putative 0.001 0.0039 0.0178
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0448 0.0441
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0297 0.0515
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.1006 0.1779
Mycobacterium leprae Probable pyruvate kinase PykA 0.0036 0.0338 0.0425
Brugia malayi Matrixin family protein 0.0026 0.023 0.0392
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0017 0.0011
Schistosoma mansoni hypothetical protein 0.0043 0.0429 0.0891
Loa Loa (eye worm) hypothetical protein 0.0013 0.0079 0.0122
Loa Loa (eye worm) RecQ helicase 0.002 0.0159 0.0264
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.012 0.0112
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0387 0.2998
Schistosoma mansoni hypothetical protein 0.0032 0.0297 0.0611
Schistosoma mansoni hypothetical protein 0.0413 0.4743 1
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0027 0.0029
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1006 0.2109
Echinococcus granulosus GPCR family 2 0.0032 0.0297 0.0515
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0008 0.0017 0.0135
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0387 0.2998
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0159 0.0152
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0159 0.0264
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0008 0.0017 0.002
Brugia malayi 6-phosphofructokinase 0.0114 0.125 0.2209
Schistosoma mansoni lamin 0.0029 0.0258 0.053
Echinococcus multilocularis pyruvate kinase 0.0036 0.0338 0.0331
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0338 0.1799
Echinococcus granulosus pyruvate kinase 0.0036 0.0338 0.0589
Echinococcus granulosus geminin 0.018 0.2029 0.3602
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.012 0.0834
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0043 0.0215
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0282 0.2254
Loa Loa (eye worm) matrix metalloproteinase 0.0026 0.023 0.0392
Loa Loa (eye worm) hypothetical protein 0.0036 0.0338 0.0583
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.1202 0.9609
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0106 0.1166 0.2446
Loa Loa (eye worm) hypothetical protein 0.0055 0.0566 0.0991
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0338 0.1799
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0017 0.0011
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0085 0.0078
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0008 0.0017 0.0017
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.0338 0.2603
Leishmania major pyruvate kinase 0.0036 0.0338 0.2603
Mycobacterium ulcerans pyruvate kinase 0.0036 0.0338 0.0425
Echinococcus granulosus pyruvate kinase 0.0018 0.0136 0.0229
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0017 0.0011
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0008 0.0017 0.0011
Entamoeba histolytica phosphofructokinase, putative 0.0114 0.125 1
Schistosoma mansoni hypothetical protein 0.0032 0.0297 0.0611
Loa Loa (eye worm) matrixin family protein 0.0058 0.0604 0.1059
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0085 0.0138
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0387 0.2998
Echinococcus multilocularis pyruvate kinase 0.0036 0.0338 0.0331
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0028 0.0037
Echinococcus multilocularis dnaJ subfamily B 0.0413 0.4743 0.4739
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0008 0.0017 0.0135
Schistosoma mansoni nocturnin 0.0008 0.0017 0.002
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.012 0.2781
Onchocerca volvulus 0.0029 0.0258 0.1354
Echinococcus granulosus survival motor neuron protein 1 0.0488 0.562 1
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0258 0.0442
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0387 0.2998
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0387 0.312
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0028 0.0021
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0017 0.0011
Echinococcus multilocularis geminin 0.018 0.2029 0.2023
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.011 0.1202 0.2123
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0017 0.0011
Schistosoma mansoni hypothetical protein 0.0043 0.0429 0.0891
Loa Loa (eye worm) hypothetical protein 0.001 0.0043 0.0058
Schistosoma mansoni pyruvate kinase 0.0036 0.0338 0.0698
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0159 0.1152
Schistosoma mansoni 6-phosphofructokinase 0.0114 0.125 0.2624
Echinococcus granulosus Niemann Pick C1 protein 0.0105 0.1147 0.203
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.0282 0.7164
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0448 0.078
Schistosoma mansoni patched 1 0.0045 0.0448 0.0931
Schistosoma mansoni 6-phosphofructokinase 0.0114 0.125 0.2624
Schistosoma mansoni pyruvate kinase 0.0018 0.0136 0.0272
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0282 0.2254
Entamoeba histolytica phosphofructokinase, putative 0.0114 0.125 1
Brugia malayi Hemopexin family protein 0.0037 0.0359 0.0621
Loa Loa (eye worm) hypothetical protein 0.0032 0.0297 0.0511
Brugia malayi Matrixin family protein 0.0026 0.023 0.0392
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0017 0.0011
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.1202 0.9609
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0008 0.0017 0.0017
Mycobacterium ulcerans 6-phosphofructokinase 0.0114 0.125 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.012 0.0112
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0564 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0017 0.0011
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.125 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.012 0.0112
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.012 0.02
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0297 0.051
Brugia malayi Pyruvate kinase, muscle isozyme 0.0036 0.0338 0.0583
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0017 0.0011
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0159 0.0264
Echinococcus granulosus traf and tnf receptor associated protein 0.0008 0.0017 0.0017
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.012 0.0112
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0017 0.0011
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0008 0.0017 0.0135
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0282 0.2254
Onchocerca volvulus Matrilysin homolog 0.0026 0.023 0.1197
Plasmodium vivax pyruvate kinase, putative 0.0036 0.0338 0.8683
Onchocerca volvulus 0.0161 0.1801 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0096 0.104 0.1033
Loa Loa (eye worm) hypothetical protein 0.0105 0.1147 0.2025
Onchocerca volvulus 0.0037 0.0359 0.1916
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0338 0.2703
Loa Loa (eye worm) hypothetical protein 0.0101 0.1103 0.1948
Brugia malayi 6-phosphofructokinase 0.0114 0.125 0.2209
Loa Loa (eye worm) hypothetical protein 0.0026 0.023 0.0392
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0159 0.3842
Echinococcus multilocularis pyruvate kinase 0.0018 0.0136 0.0129
Leishmania major ATP-dependent phosphofructokinase 0.0114 0.125 1
Echinococcus granulosus pyruvate kinase 0.0018 0.0136 0.0229
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0159 0.027
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.011 0.1202 0.9609
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0103 0.0164
Giardia lamblia Pyruvate kinase 0.0036 0.0338 0.2709
Echinococcus multilocularis 6 phosphofructokinase 0.0114 0.125 0.1243
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.011 0.1202 0.1195
Echinococcus granulosus bloom syndrome protein 0.002 0.0159 0.027
Onchocerca volvulus Pyruvate kinase homolog 0.0036 0.0338 0.1799
Giardia lamblia Kinase, PLK 0.011 0.1202 1
Schistosoma mansoni synaptojanin 0.0008 0.0017 0.002
Trypanosoma brucei pyruvate kinase 1, putative 0.0036 0.0338 0.2603
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.1006 0.0999
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0017 0.0011
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0338 0.0583
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0031 0.0282 0.2148
Loa Loa (eye worm) hypothetical protein 0.001 0.0043 0.0058
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.1103 0.1948
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0017 0.0011
Toxoplasma gondii phosphofructokinase PFKII 0.0031 0.0282 0.4837
Echinococcus multilocularis cpg binding protein 0.0031 0.0281 0.0274
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0159 0.1152
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0258 0.0442
Loa Loa (eye worm) hypothetical protein 0.002 0.0159 0.0264
Chlamydia trachomatis pyruvate kinase 0.0036 0.0338 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 3.6 nM Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs ChEMBL. 20005097
permeability (ADMET) = 2.7 10'-6 cm/s Permeability across human Caco-2 cells ChEMBL. 20005097

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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