Detailed information for compound 1686687

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 318.372 | Formula: C19H18N4O
  • H donors: 2 H acceptors: 2 LogP: 2.57 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCC(=O)Nc1ccc2c(c1)c1c(n2C)nc2c(c1C)cccc2
  • InChi: 1S/C19H18N4O/c1-11-13-5-3-4-6-15(13)22-19-18(11)14-9-12(21-17(24)10-20)7-8-16(14)23(19)2/h3-9H,10,20H2,1-2H3,(H,21,24)
  • InChiKey: HHASGTJDHQEUJJ-UHFFFAOYSA-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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.5303 0.5802
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0901 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.8487 0.8487
Trypanosoma brucei DNA polymerase eta, putative 0.0043 0.8487 1
Echinococcus granulosus dna polymerase eta 0.0043 0.8487 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.266 0.2319
Leishmania major hypothetical protein, conserved 0.0024 0.266 0.2319
Echinococcus multilocularis dna polymerase eta 0.0043 0.8487 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0901 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0901 0.5
Schistosoma mansoni DNA polymerase eta 0.0043 0.8487 1
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.266 0.5
Leishmania major DNA polymerase eta, putative 0.003 0.4524 0.4775
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0901 0.5
Giardia lamblia DINP protein human, muc B family 0.0019 0.0901 0.5
Leishmania major DNA polymerase eta, putative 0.0043 0.8487 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.003 0.4524 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0901 0.0901
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0901 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.5303 0.4837
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0901 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.8487 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.266 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.266 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.266 0.2319
Brugia malayi hypothetical protein 0.0024 0.266 0.266
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.8487 0.8338
Loa Loa (eye worm) hypothetical protein 0.0024 0.266 0.1934
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.266 0.2319
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0901 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.003 0.4524 0.4775
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.5303 0.5303

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.32 uM Cytotoxicity against human KB cells after 72 hrs by SRB assay ChEMBL. 22574992

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 22574992

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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