Detailed information for compound 657486

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 322.358 | Formula: C19H18N2O3
  • H donors: 1 H acceptors: 2 LogP: 3.38 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(ccc1O)C=C1C(=NN(C1=O)c1ccccc1)C
  • InChi: 1S/C19H18N2O3/c1-3-24-18-12-14(9-10-17(18)22)11-16-13(2)20-21(19(16)23)15-7-5-4-6-8-15/h4-12,22H,3H2,1-2H3/b16-11+
  • InChiKey: DCKIRNZLXPEESL-LFIBNONCSA-N  


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
Brugia malayi Smad1 0.0009 0.003 0.0043
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0479 0.0479
Brugia malayi hypothetical protein 0.0088 0.4456 0.6453
Brugia malayi MH2 domain containing protein 0.0009 0.003 0.0043
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.4913 0.4913
Mycobacterium leprae PROBABLE CATION-TRANSPORTER P-TYPE ATPASE B CTPB 0.0008 0 0.5
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0008 0 0.5
Echinococcus multilocularis zinc finger protein 0.0021 0.0712 0.0712
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.1131 0.1637
Giardia lamblia Phospholipid-transporting ATPase IA, putative 0.0008 0 0.5
Trichomonas vaginalis cation-transporting ATPase, putative 0.0008 0 0.5
Schistosoma mansoni cpg binding protein 0.0029 0.1131 0.1131
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0023 0.0034
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.1071 1
Echinococcus multilocularis geminin 0.0186 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.4913 0.4913
Loa Loa (eye worm) hypothetical protein 0.007 0.3476 0.5033
Leishmania major hypothetical protein, conserved 0.0027 0.1071 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.4913 0.7114
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0514 0.0744
Brugia malayi PHD-finger family protein 0.0026 0.101 0.1462
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.1533 0.1533
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0514 0.0514
Treponema pallidum hypothetical protein 0.0008 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.4913 0.4913
Schistosoma mansoni hypothetical protein 0.0015 0.0381 0.0381
Mycobacterium tuberculosis Cation transporter P-type ATPase a CtpA 0.0008 0 0.5
Schistosoma mansoni bromodomain containing protein 0.0064 0.3152 0.3152
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.003 0.003
Brugia malayi CXXC zinc finger family protein 0.0029 0.1131 0.1637
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0008 0 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.1071 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.2697 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.2952 0.2952
Chlamydia trachomatis metal transport ATPase 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.1071 0.1551
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.4913 0.4913
Echinococcus multilocularis Smad4 0.0009 0.003 0.003
Brugia malayi Bromodomain containing protein 0.0038 0.1666 0.2412
Mycobacterium tuberculosis Possible metal cation transporting P-type ATPase CtpH 0.0008 0 0.5
Echinococcus granulosus cpg binding protein 0.0032 0.1329 0.1329
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.6906 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.4913 0.4913
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0124 0.0179
Brugia malayi MH1 domain containing protein 0.0009 0.003 0.0043
Echinococcus granulosus zinc finger protein 0.0021 0.0712 0.0712
Schistosoma mansoni cpg binding protein 0.0032 0.1329 0.1329
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0479 0.0479
Trypanosoma cruzi ISWI complex protein 0.0015 0.0381 0.3561
Schistosoma mansoni smad1 5 8 and 0.0009 0.003 0.003
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0679 0.0984
Echinococcus multilocularis cpg binding protein 0.0032 0.1329 0.1329
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.1071 1
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.1071 1
Mycobacterium leprae Probable metal cation-transporting P-type ATPase C CtpC 0.0008 0 0.5
Trypanosoma brucei ISWI complex protein 0.0015 0.0381 0.3561
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.003 0.003
Schistosoma mansoni smad 0.0009 0.003 0.003
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.154 0.154
Mycobacterium ulcerans cation transporter p-type ATPase D CtpD 0.0008 0 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.154 1
Mycobacterium ulcerans cation-transporter p-type ATPase B CtpB 0.0008 0 0.5
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0479 0.0479
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0877 0.0877
Schistosoma mansoni hypothetical protein 0.0012 0.022 0.022
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.003 0.003
Trichomonas vaginalis cation-transporting ATPase, putative 0.0008 0 0.5
Trichomonas vaginalis ATPase, class I, type 8B, putative 0.0008 0 0.5
Echinococcus granulosus smad 0.0009 0.003 0.003
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0479 0.0479
Mycobacterium ulcerans metal cation-transporting p-type ATPase CtpC 0.0008 0 0.5
Echinococcus granulosus Smad4 0.0009 0.003 0.003
Entamoeba histolytica hypothetical protein 0.0036 0.154 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0008 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.003 0.0043
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0023 0.0023
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.003 0.0043
Trichomonas vaginalis cation-transporting ATPase, putative 0.0008 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.6906 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0514 0.0514
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.022 0.022
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.1071 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.1071 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.4913 0.4913
Trichomonas vaginalis phospholipid-transporting ATPase, putative 0.0008 0 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0514 0.0514
Schistosoma mansoni smad1 5 8 and 0.0009 0.003 0.003
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.4913 0.7114
Loa Loa (eye worm) hypothetical protein 0.004 0.1802 0.2609
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.2952 0.2952
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.2929 0.2929
Schistosoma mansoni hypothetical protein 0.002 0.0679 0.0679
Schistosoma mansoni hypothetical protein 0.0186 1 1
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0008 0 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0514 0.0514
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.1071 0.3971
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.003 0.003
Loa Loa (eye worm) Smad1 0.0009 0.003 0.0043
Schistosoma mansoni eyes absent homolog 0.0088 0.4456 0.4456
Entamoeba histolytica hypothetical protein 0.0036 0.154 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.167 0.2418
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0008 0 0.5
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0008 0 0.5
Mycobacterium ulcerans metal cation transporter ATPase p-type CtpE 0.0008 0 0.5
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0008 0 0.5
Brugia malayi hypothetical protein 0.0027 0.1071 0.1551
Mycobacterium ulcerans cation-transporter ATPase I CtpI 0.0008 0 0.5
Schistosoma mansoni zinc finger protein 0.0015 0.0381 0.0381
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0877 0.0877
Leishmania major hypothetical protein, conserved 0.0015 0.0381 0.3561
Trypanosoma cruzi ISWI complex protein 0.0015 0.0381 0.3561
Mycobacterium tuberculosis Probable metal cation transporter ATPase P-type CtpE 0.0008 0 0.5
Schistosoma mansoni cpg binding protein 0.0032 0.1329 0.1329
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.1533 0.1533
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.4913 0.4913
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.154 0.154
Loa Loa (eye worm) hypothetical protein 0.0088 0.4456 0.6453
Brugia malayi MH2 domain containing protein 0.0131 0.6906 1
Brugia malayi MH1 domain containing protein 0.0009 0.003 0.0043
Schistosoma mansoni zinc finger protein 0.0021 0.0712 0.0712
Brugia malayi hypothetical protein 0.0018 0.0524 0.0759
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0877 0.0877
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0008 0 0.5
Treponema pallidum cation-transporting ATPase, P-type 0.0008 0 0.5
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0008 0 0.5
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0008 0 0.5
Mycobacterium ulcerans cation transporter p-type ATPase a CtpA 0.0008 0 0.5
Brugia malayi MH2 domain containing protein 0.0009 0.003 0.0043
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.154 0.154
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0023 0.0023
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0044 0.2 0.2896
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.0018 0.0514 0.0745
Loa Loa (eye worm) hypothetical protein 0.0088 0.4456 0.6453
Brugia malayi hypothetical protein 0.0036 0.154 0.223
Mycobacterium tuberculosis Probable metal cation transporter P-type ATPase CtpV 0.0008 0 0.5
Mycobacterium tuberculosis Probable cation transporter P-type ATPase D CtpD 0.0008 0 0.5
Schistosoma mansoni hypothetical protein 0.0186 1 1
Trichomonas vaginalis ATPase, class VI, type 11C, putative 0.0008 0 0.5
Echinococcus multilocularis smad 0.0009 0.003 0.003
Onchocerca volvulus 0.0029 0.1131 1
Schistosoma mansoni Smad4 0.0009 0.003 0.003
Giardia lamblia Copper-transporting P-type ATPase 0.0008 0 0.5
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0008 0 0.5
Brugia malayi Bromodomain containing protein 0.0076 0.3806 0.5512
Schistosoma mansoni smad1 5 8 and 0.0009 0.003 0.003
Mycobacterium ulcerans metal cation transporter p-type ATPase, CtpV 0.0008 0 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.154 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0008 0 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.154 0.154

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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