Detailed information for compound 1563499

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 382.411 | Formula: C24H18N2O3
  • H donors: 1 H acceptors: 2 LogP: 4.82 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)/C=C/c1cccc(c1)C1C(=C(N)Oc2c1c1ccccc1cc2)C#N
  • InChi: 1S/C24H18N2O3/c1-28-21(27)12-9-15-5-4-7-17(13-15)22-19(14-25)24(26)29-20-11-10-16-6-2-3-8-18(16)23(20)22/h2-13,22H,26H2,1H3/b12-9+
  • InChiKey: YUPAXNZLZIMBTR-FMIVXFBMSA-N  

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
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0413 0.0165
Schistosoma mansoni ferritin 0.0009 0.0252 0.2465
Schistosoma mansoni apoferritin-2 0.0009 0.0252 0.2465
Schistosoma mansoni blooms syndrome DNA helicase 0.0021 0.1023 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.1378 1
Brugia malayi hypothetical protein 0.0017 0.0758 0.0416
Schistosoma mansoni hypothetical protein 0.0012 0.0413 0.4041
Schistosoma mansoni DNA helicase recq1 0.0011 0.0357 0.3494
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0357 0.0108
Loa Loa (eye worm) hypothetical protein 0.0156 1 1
Leishmania major hypothetical protein, conserved 0.0026 0.1378 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0357 0.0108
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0.0252 0.5
Brugia malayi Bloom's syndrome protein homolog 0.0027 0.1395 0.1076
Schistosoma mansoni DNA helicase recq5 0.0011 0.0357 0.3494
Trichomonas vaginalis DNA helicase recq1, putative 0.0027 0.1395 1
Echinococcus multilocularis muscleblind protein 0.0156 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.1378 1
Schistosoma mansoni ferritin light chain 0.0009 0.0252 0.2465
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0357 0.2593
Echinococcus multilocularis muscleblind protein 1 0.0156 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.1378 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0357 0.0108
Loa Loa (eye worm) hypothetical protein 0.0026 0.1378 0.1059
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0.0252 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.1378 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0357 0.2593
Schistosoma mansoni apoferritin-2 0.0009 0.0252 0.2465
Schistosoma mansoni ferritin 0.0009 0.0252 0.2465
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0357 0.0108
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0252 1
Schistosoma mansoni ferritin 0.0009 0.0252 0.2465
Loa Loa (eye worm) hypothetical protein 0.0134 0.8519 0.8464
Trichomonas vaginalis DNA helicase recq, putative 0.0027 0.1395 1
Loa Loa (eye worm) hypothetical protein 0.0156 1 1
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.0252 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.1378 1
Echinococcus granulosus muscleblind protein 0.0156 1 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0252 0.5
Trichomonas vaginalis DNA helicase recq, putative 0.0014 0.0572 0.2799
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0572 1
Echinococcus granulosus bloom syndrome protein 0.0027 0.1395 0.1172
Brugia malayi hypothetical protein 0.0026 0.1378 0.1059
Loa Loa (eye worm) RecQ helicase 0.0027 0.1395 0.1076
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0.0252 0.5
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.0252 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0808 0.5865
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.118 0.8057
Giardia lamblia Sgs1 DNA helicase, putative 0.0011 0.0357 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.1378 1
Schistosoma mansoni ferritin light chain 0.0009 0.0252 0.2465
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.1378 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0413 0.0165
Schistosoma mansoni ferritin 0.0009 0.0252 0.2465
Echinococcus multilocularis bloom syndrome protein 0.0027 0.1395 0.1172

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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