Detailed information for compound 1070930

Basic information

Technical information
  • TDR Targets ID: 1070930
  • Name: 3-[3-[(6-amino-2H-pyrazolo[5,4-b]pyridin-3-yl )methoxy]-4-chloro-5-fluorophenoxy]-5-chlorob enzonitrile
  • MW: 444.246 | Formula: C20H12Cl2FN5O2
  • H donors: 2 H acceptors: 3 LogP: 4.57 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cc(Oc2cc(OCc3n[nH]c4c3ccc(n4)N)c(c(c2)F)Cl)cc(c1)Cl
  • InChi: 1S/C20H12Cl2FN5O2/c21-11-3-10(8-24)4-12(5-11)30-13-6-15(23)19(22)17(7-13)29-9-16-14-1-2-18(25)26-20(14)28-27-16/h1-7H,9H2,(H3,25,26,27,28)
  • InChiKey: PVWOFXSJIPHOQI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[3-[(6-amino-2H-pyrazolo[5,4-b]pyridin-3-yl)methoxy]-4-chloro-5-fluoro-phenoxy]-5-chloro-benzonitrile

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
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.4901 1
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.0257 0.0497
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0013 0.0112 0.0228
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0437 0.0891
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0253 0.0516
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0337 0.0337
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.1585 0.3233
Brugia malayi hypothetical protein 0.0019 0.0257 0.0207
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0019 0.0257 0.0497
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0285 0.0362
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.1451 0.2942
Brugia malayi RasGEF domain containing protein 0.0013 0.0112 0.0061
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0257 0.0523
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.1687 0.1644
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0285 0.5
Schistosoma mansoni ap endonuclease 0.002 0.0285 0.0556
Brugia malayi serine/threonine-protein kinase plk-2 0.0193 0.4901 0.4875
Onchocerca volvulus 0.003 0.0553 0.0447
Loa Loa (eye worm) hypothetical protein 0.0013 0.0112 0.0112
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0019 0.0257 0.0207
Brugia malayi PHD-finger family protein 0.0032 0.0598 0.055
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0013 0.0112 0.0228
Brugia malayi Bromodomain containing protein 0.0044 0.0932 0.0886
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0193 0.4901 1
Echinococcus multilocularis segment polarity protein dishevelled 0.0019 0.0257 0.0523
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0236 0.0481
Brugia malayi N-terminal motif family protein 0.0013 0.0112 0.0061
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.2301 0.4571
Loa Loa (eye worm) hypothetical protein 0.0106 0.2582 0.2582
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.3677 0.3645
Brugia malayi N-terminal motif family protein 0.0013 0.0112 0.0061
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0648 0.0648
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0253 0.0516
Schistosoma mansoni serine/threonine protein kinase 0.0193 0.4901 1
Schistosoma mansoni dishevelled 0.0019 0.0257 0.0497
Schistosoma mansoni bromodomain containing protein 0.0072 0.1686 0.3422
Echinococcus granulosus zinc finger protein 0.0026 0.0447 0.0913
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0954 0.1946
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.3677 0.7495
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0285 0.0211
Echinococcus multilocularis cpg binding protein 0.0034 0.0653 0.1332
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.4901 1
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0013 0.0112 0.0228
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0648 0.1321
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0648 0.1321
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.4901 1
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0013 0.0094 0.0165
Schistosoma mansoni zinc finger protein 0.0016 0.0186 0.0352
Loa Loa (eye worm) hypothetical protein 0.0075 0.1757 0.1757
Loa Loa (eye worm) hypothetical protein 0.0033 0.0648 0.0648
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.0112 0.0201
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.2582 0.2544
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0648 0.1321
Loa Loa (eye worm) hypothetical protein 0.0019 0.0257 0.0257
Echinococcus multilocularis geminin 0.0183 0.4645 0.9477
Loa Loa (eye worm) RasGEF domain-containing protein 0.0013 0.0112 0.0112
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0257 0.0523
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0285 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0193 0.4901 1
Trypanosoma cruzi ISWI complex protein 0.0016 0.0186 0.0155
Brugia malayi Bromodomain containing protein 0.0085 0.2018 0.1977
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0236 0.0454
Echinococcus multilocularis GPCR, family 2 0.0033 0.0648 0.1321
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0792 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0954 0.1758
Echinococcus granulosus GPCR family 2 0.0033 0.0648 0.1321
Brugia malayi RasGEF domain containing protein 0.0013 0.0112 0.0061
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.1431 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0954 0.5934
Schistosoma mansoni hypothetical protein 0.0072 0.1687 0.3423
Brugia malayi CXXC zinc finger family protein 0.003 0.0553 0.0505
Schistosoma mansoni dishevelled 0.0019 0.0257 0.0497
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0253 0.049
Schistosoma mansoni hypothetical protein 0.0022 0.0337 0.0662
Schistosoma mansoni cpg binding protein 0.003 0.0553 0.1104
Echinococcus multilocularis Protein son of sevenless 0.0013 0.0112 0.0228
Schistosoma mansoni hypothetical protein 0.0033 0.0648 0.1297
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.3502 0.7145
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0285 0.0582
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0253 0.049
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0285 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.3677 0.7502
Toxoplasma gondii exonuclease III APE 0.002 0.0285 0.0245
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0954 0.5934
Echinococcus granulosus son of sevenless 1 0.0013 0.0112 0.0228
Echinococcus granulosus cpg binding protein 0.0034 0.0653 0.1332
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0954 0.1758
Brugia malayi hypothetical protein 0.0019 0.0257 0.0207
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0236 0.0454
Brugia malayi DIX domain containing protein 0.0019 0.0257 0.0207
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0193 0.4901 1
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0019 0.0257 0.0523
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0285 0.0362
Loa Loa (eye worm) RasGEF domain-containing protein 0.0013 0.0112 0.0112
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.4901 1
Echinococcus granulosus Pleckstrin G protein interacting region 0.0019 0.0257 0.0523
Onchocerca volvulus 0.0019 0.0257 0.0146
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0285 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.084 0.084
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.4901 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0257 0.0523
Giardia lamblia Kinase, PLK 0.0193 0.4901 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0193 0.4901 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1687 0.1687
Schistosoma mansoni zinc finger protein 0.0026 0.0447 0.0887
Echinococcus multilocularis zinc finger protein 0.0026 0.0447 0.0913
Schistosoma mansoni ras GTP exchange factor 0.0013 0.0112 0.0201
Schistosoma mansoni cpg binding protein 0.0034 0.0653 0.1308
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0257 0.0523
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0257 0.0497
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0792 0.1421
Brugia malayi regulator of G-protein signaling egl-10 0.0019 0.0257 0.0207
Schistosoma mansoni hypothetical protein 0.0183 0.4645 0.9475
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0285 0.0362
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0792 0.1098
Brugia malayi RasGEF domain containing protein 0.0013 0.0112 0.0061
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0236 0.0481
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0193 0.4901 0.4901
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0285 0.0362
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.1585 0.3233
Schistosoma mansoni hypothetical protein 0.0016 0.0186 0.0352
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.2582 0.2544
Loa Loa (eye worm) acetyltransferase 0.0147 0.3677 0.3677
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0285 0.0285
Loa Loa (eye worm) bromodomain containing protein 0.0022 0.0347 0.0347
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.4901 1
Schistosoma mansoni cpg binding protein 0.0034 0.0653 0.1308
Echinococcus granulosus Protein son of sevenless 0.0013 0.0112 0.0228
Echinococcus granulosus geminin 0.0183 0.4645 0.9477
Schistosoma mansoni dep domain containing protein 0.0019 0.0257 0.0497
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0437 0.0866
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0285 0.0211
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0019 0.0257 0.0207
Echinococcus granulosus segment polarity protein dishevelled 0.0019 0.0257 0.0523
Schistosoma mansoni hypothetical protein 0.0183 0.4645 0.9475
Echinococcus granulosus ras GTP exchange factor 0.0013 0.0112 0.0228
Loa Loa (eye worm) RasGEF domain-containing protein 0.0013 0.0112 0.0112
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0285 0.0235
Echinococcus multilocularis son of sevenless 1 0.0013 0.0112 0.0228
Trypanosoma cruzi polo-like protein kinase, putative 0.0193 0.4901 1
Schistosoma mansoni hypothetical protein 0.0033 0.0648 0.1297
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0771 0.1573
Echinococcus granulosus segment polarity protein dishevelled 0.0019 0.0257 0.0523
Trypanosoma cruzi ISWI complex protein 0.0016 0.0186 0.0155
Schistosoma mansoni hypothetical protein 0.0033 0.0648 0.1297
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0285 0.0582
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0553 0.0553
Loa Loa (eye worm) DIX domain-containing protein 0.0019 0.0257 0.0257
Schistosoma mansoni kinase 0.0098 0.2369 0.4819
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0648 0.06
Loa Loa (eye worm) hypothetical protein 0.0019 0.0257 0.0257
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0285 0.0362
Loa Loa (eye worm) hypothetical protein 0.0047 0.1001 0.1001
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0648 0.1321
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.0112 0.0201
Loa Loa (eye worm) hypothetical protein 0.0019 0.0253 0.0253
Entamoeba histolytica serine/threonine protein kinase, putative 0.0193 0.4901 1
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0648 0.06
Onchocerca volvulus Serine\/threonine kinase homolog 0.0193 0.4901 0.4844
Echinococcus multilocularis ras GTP exchange factor 0.0013 0.0112 0.0228
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.4901 1
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0013 0.0112 0.0201
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0257 0.0257
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0954 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0437 0.0891
Trypanosoma brucei polo-like protein kinase 0.0193 0.4901 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.005 0.1101 0.1101
Echinococcus multilocularis segment polarity protein dishevelled 0.0019 0.0257 0.0523
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.0112 0.0201
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0771 0.1573
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.2301 0.4571
Loa Loa (eye worm) hypothetical protein 0.0013 0.0112 0.0112
Schistosoma mansoni hypothetical protein 0.0033 0.0648 0.1297
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0019 0.0257 0.0146
Schistosoma mansoni ap endonuclease 0.002 0.0285 0.0556
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0013 0.0112 0.0228
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.2582 0.2582
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0014

Activities

No activities found for this compound.

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

No literature references available for this target.

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