Detailed information for compound 1257807

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 390.395 | Formula: C20H18N6O3
  • H donors: 4 H acceptors: 3 LogP: 4.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1cc(N)c(cc1/N=N/c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)C
  • InChi: 1S/C20H18N6O3/c1-11-8-18(17(22)10-16(11)21)26-24-13-4-2-12(3-5-13)23-25-14-6-7-19(27)15(9-14)20(28)29/h2-10,27H,21-22H2,1H3,(H,28,29)/b25-23+,26-24+
  • InChiKey: LNPJMIMLAFXLSJ-OGGGYYITSA-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 PH domain and leucine rich repeat protein phosphatase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis protein phosphatase 2C delta isoform, putative Get druggable targets OG5_129710 All targets in OG5_129710
Trichomonas vaginalis protein phosphatase type 2C, putative Get druggable targets OG5_129710 All targets in OG5_129710
Trichomonas vaginalis protein phosphatase 2C, putative Get druggable targets OG5_129710 All targets in OG5_129710
Candida albicans hypothetical protein Get druggable targets OG5_129710 All targets in OG5_129710
Entamoeba histolytica leucine rich repeat / protein phosphatase 2C domain containing protein Get druggable targets OG5_129710 All targets in OG5_129710
Candida albicans similar to S. cerevisiae CYR1 (YJL005W) adenylate cyclase Get druggable targets OG5_129710 All targets in OG5_129710
Candida albicans similar to S. cerevisiae CYR1 (YJL005W) adenylate cyclase Get druggable targets OG5_129710 All targets in OG5_129710
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129710 All targets in OG5_129710
Candida albicans similar to S. cerevisiae CYR1 (YJL005W) adenylate cyclase Get druggable targets OG5_129710 All targets in OG5_129710
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
Schistosoma mansoni cpg binding protein 0.003 0.0559 0.0648
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1912 0.3348
Trichomonas vaginalis protein phosphatase 2C, putative 0.014 0.2959 0.5183
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0314 0.055
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0053 0.0093
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.1181 0.1373
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0066 0.1345 0.1564
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0053 0.0093
Brugia malayi jmjC domain containing protein 0.0015 0.0244 0.0427
Echinococcus multilocularis musashi 0.0026 0.048 0.0416
Echinococcus granulosus intermediate filament protein 0.0026 0.048 0.0416
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0067 0.0074
Onchocerca volvulus Huntingtin homolog 0.0121 0.2538 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0524 0.0918
Loa Loa (eye worm) hypothetical protein 0.0015 0.0244 0.0427
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0053 0.0093
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0053 0.0093
Schistosoma mansoni protein phosphatase 2C 0.0015 0.0249 0.0287
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0895 0.0834
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0218 0.0381
Schistosoma mansoni jumonji domain containing protein 0.0057 0.1147 0.1333
Schistosoma mansoni lamin 0.0026 0.048 0.0556
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0314 0.0249
Brugia malayi CXXC zinc finger family protein 0.0028 0.0524 0.0918
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0314 0.055
Loa Loa (eye worm) hypothetical protein 0.0026 0.048 0.084
Loa Loa (eye worm) hypothetical protein 0.0066 0.1345 0.2356
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0895 0.1039
Echinococcus multilocularis neuropeptide receptor A26 0.0465 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0314 0.0421
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0099 0.206 0.2007
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.0983 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1912 0.3348
Loa Loa (eye worm) hypothetical protein 0.0049 0.0983 0.1721
Schistosoma mansoni cpg binding protein 0.003 0.0559 0.0648
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0053 0.0093
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0053 0.0093
Schistosoma mansoni intermediate filament proteins 0.0026 0.048 0.0556
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0983 1
Schistosoma mansoni kinase 0.0047 0.093 0.1081
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0983 0.443
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0066 0.1345 0.2356
Schistosoma mansoni glutaminase 0.0267 0.571 0.665
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.1912 0.604
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0394 0.033
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0218 0.0381
Echinococcus multilocularis phd:f box containing protein 0.0015 0.0244 0.0178
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0101 0.0177
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0895 0.1567
Loa Loa (eye worm) hypothetical protein 0.0013 0.0188 0.0329
Trichomonas vaginalis protein phosphatase type 2C, putative 0.014 0.2959 0.5183
Echinococcus multilocularis lamin dm0 0.0026 0.048 0.0416
Brugia malayi Melibiase family protein 0.0066 0.1345 0.2356
Echinococcus granulosus lamin dm0 0.0026 0.048 0.0416
Entamoeba histolytica hypothetical protein 0.0036 0.07 0.1459
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0053 0.0093
Brugia malayi glutaminase DH11.1 0.0267 0.571 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0895 0.1567
Trypanosoma brucei polo-like protein kinase 0.0092 0.1912 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0895 0.0834
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.1912 0.1858
Loa Loa (eye worm) glutaminase 0.0267 0.571 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.1181 0.2069
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0017 0.0278 0.0213
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.1912 0.3348
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.1147 0.1087
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.1147 0.1087
Echinococcus granulosus cpg binding protein 0.003 0.0559 0.0496
Echinococcus multilocularis jumonji domain containing 1A 0.0015 0.0244 0.0178
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0314 0.055
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0244 0.0427
Entamoeba histolytica hypothetical protein 0.0036 0.07 0.1459
Brugia malayi intermediate filament protein 0.0026 0.048 0.084
Brugia malayi hypothetical protein 0.0036 0.07 0.1226
Brugia malayi jmjC domain containing protein 0.0057 0.1147 0.2008
Echinococcus granulosus phd:f box containing protein 0.0015 0.0244 0.0178
Echinococcus granulosus lysine specific demethylase 6a 0.0015 0.0244 0.0178
Echinococcus granulosus jumonji domain containing 1A 0.0015 0.0244 0.0178
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0099 0.206 0.2397
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0053 0.0093
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.07 0.0638
Schistosoma mansoni hypothetical protein 0.0036 0.07 0.0812
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0314 0.0421
Schistosoma mansoni jumonji domain containing protein 0.0015 0.0244 0.0281
Trichomonas vaginalis helicase, putative 0.0006 0.0053 0.0093
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.07 0.0812
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0895 0.0834
Echinococcus multilocularis dnaJ subfamily B 0.04 0.8586 0.8576
Echinococcus granulosus lamin 0.0026 0.048 0.0416
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0311
Giardia lamblia Kinase, PLK 0.0092 0.1912 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.07 0.0638
Loa Loa (eye worm) hypothetical protein 0.0015 0.0244 0.0427
Brugia malayi jmjC domain containing protein 0.0015 0.0244 0.0427
Brugia malayi jmjC domain containing protein 0.0058 0.1181 0.2069
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0314 0.0951
Trichomonas vaginalis protein phosphatase 2C delta isoform, putative 0.014 0.2959 0.5183
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.1912 0.2224
Echinococcus granulosus neuropeptide receptor A26 0.0465 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1912 0.3348
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1912 0.3348
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0983 0.443
Loa Loa (eye worm) hypothetical protein 0.0121 0.2538 0.4446
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0053 0.0093
Schistosoma mansoni lamin 0.0026 0.048 0.0556
Loa Loa (eye worm) hypothetical protein 0.0026 0.047 0.0822
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0188 0.0122
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0053 0.0093
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0314 0.055
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0099 0.206 0.2397
Onchocerca volvulus 0.0028 0.0524 0.0215
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.1181 0.1122
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0314 0.0421
Brugia malayi hypothetical protein 0.0121 0.2538 0.4446
Echinococcus multilocularis cpg binding protein 0.003 0.0559 0.0496
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0099 0.206 0.2007
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.1912 1
Toxoplasma gondii exonuclease III APE 0.0018 0.0314 0.0517
Echinococcus multilocularis JmjC domain containing protein 4 0.0015 0.0244 0.0178
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.1912 0.1858
Loa Loa (eye worm) glutaminase 2 0.0267 0.571 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0104 0.0037
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0895 0.1039
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1912 0.3348
Schistosoma mansoni hypothetical protein 0.04 0.8586 1
Echinococcus granulosus dnaJ subfamily B 0.04 0.8586 0.8576
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1912 0.3348
Brugia malayi jmjC domain containing protein 0.0015 0.0244 0.0427
Echinococcus multilocularis neuropeptide s receptor 0.0465 1 1
Leishmania major hypothetical protein, conserved 0.0049 0.0983 0.443
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0314 0.5
Trichomonas vaginalis glutaminase, putative 0.0267 0.571 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0053 0.0093
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0053 0.0093
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0394 0.033
Schistosoma mansoni ap endonuclease 0.0018 0.0314 0.0363
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0314 0.0421
Brugia malayi jmjC domain containing protein 0.0015 0.0244 0.0427
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.1181 0.1373
Echinococcus multilocularis lamin 0.0026 0.048 0.0416
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0314 0.5
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0015 0.0244 0.0281
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1912 0.3348
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.048 0.084
Schistosoma mansoni cpg binding protein 0.0028 0.0524 0.0608
Toxoplasma gondii melibiase subfamily protein 0.0099 0.206 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0314 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0904 0.1583
Echinococcus granulosus JmjC domain containing protein 4 0.0015 0.0244 0.0178
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.1912 0.3348
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0053 0.0093
Brugia malayi hypothetical protein 0.0032 0.0604 0.1059
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0311
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0017 0.0278 0.0213
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0099 0.206 0.2007
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0244 0.0427
Entamoeba histolytica hypothetical protein 0.0036 0.07 0.1459
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0066 0.1345 0.1564
Mycobacterium ulcerans glutaminase 0.0267 0.571 1
Entamoeba histolytica leucine rich repeat / protein phosphatase 2C domain containing protein 0.014 0.2959 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0895 0.1039
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1207 0.1403
Onchocerca volvulus Huntingtin homolog 0.0121 0.2538 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.048 0.084
Loa Loa (eye worm) hypothetical protein 0.0015 0.0244 0.0427
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.1912 1
Schistosoma mansoni ap endonuclease 0.0018 0.0314 0.0363
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0895 0.0834
Schistosoma mansoni phosphatidylserine receptor 0.0015 0.0244 0.0281
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0104 0.0037
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0053 0.0093
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0983 1
Schistosoma mansoni hypothetical protein 0.0022 0.0394 0.0456
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0053 0.0093
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0244 0.0427
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.1912 0.6956
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0053 0.0093
Loa Loa (eye worm) intermediate filament protein 0.0026 0.048 0.084
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0104 0.0182
Loa Loa (eye worm) hypothetical protein 0.014 0.2955 0.5176
Schistosoma mansoni phd/f-box containing protein 0.0015 0.0244 0.0281
Echinococcus multilocularis lysine specific demethylase 6a 0.0015 0.0244 0.0178
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0904 0.1583
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0188 0.0122
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.1069 0.4616
Entamoeba histolytica hypothetical protein 0.0036 0.07 0.1459
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0015 0.0244 0.0135
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0015 0.0244 0.0135
Loa Loa (eye worm) hypothetical protein 0.0121 0.2538 0.4446
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0014 0.0219 0.0252
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.1147 0.1087
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0314 0.0951
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0053 0.0093
Brugia malayi hypothetical protein 0.0049 0.0983 0.1721
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0099 0.206 0.2397
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0314 0.0249
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.0983 0.443
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.1912 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0099 0.206 0.2397
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.0983 0.415

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.75 uM Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli ChEMBL. 20836557

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

1 literature reference was collected for this gene.

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