Detailed information for compound 1585862

Basic information

Technical information
  • TDR Targets ID: 1585862
  • Name: D049-0193
  • MW: 449.303 | Formula: C21H17BrN6O
  • H donors: 0 H acceptors: 4 LogP: 4.66 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1OCc1nc2n(n1)cnc1c2cnn1c1ccccc1Br)C
  • InChi: 1S/C21H17BrN6O/c1-13-6-5-7-14(2)19(13)29-11-18-25-21-15-10-24-28(17-9-4-3-8-16(17)22)20(15)23-12-27(21)26-18/h3-10,12H,11H2,1-2H3
  • InChiKey: CEYHOYGDEPPSDF-UHFFFAOYSA-N  

Network

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Synonyms

  • NCGC00115118-01

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 dual specificity serine:threonine tyrosine 0.0397 0.2678 1
Giardia lamblia Kinase, TTK 0.0397 0.2678 1
Trichomonas vaginalis AGC family protein kinase 0.0247 0.1556 0.5019
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0397 0.2678 1
Loa Loa (eye worm) AUR protein kinase 0.0247 0.1556 0.1556
Leishmania major protein kinase, putative 0.0247 0.1556 1
Trichomonas vaginalis AGC family protein kinase 0.0247 0.1556 0.5019
Trichomonas vaginalis CAMK family protein kinase 0.0397 0.2678 1
Brugia malayi serine/threonine-protein kinase 6 0.0247 0.1556 0.1556
Trypanosoma brucei aurora B kinase 0.0247 0.1556 1
Entamoeba histolytica protein kinase, putative 0.0247 0.1556 0.5
Toxoplasma gondii aurora kinase 0.0247 0.1556 1
Trichomonas vaginalis AGC family protein kinase 0.0247 0.1556 0.5019
Brugia malayi serine/threonine kinase 12 0.0247 0.1556 0.1556
Plasmodium falciparum serine/threonine protein kinase, putative 0.0247 0.1556 1
Entamoeba histolytica protein kinase , putative 0.0247 0.1556 0.5
Loa Loa (eye worm) hypothetical protein 0.0096 0.0425 0.0425
Entamoeba histolytica protein kinase domain containing protein 0.0247 0.1556 0.5
Trypanosoma cruzi aurora B kinase, putative 0.0247 0.1556 1
Brugia malayi Protein kinase domain containing protein 0.0397 0.2678 0.2678
Brugia malayi hypothetical protein 0.0096 0.0425 0.0425
Trichomonas vaginalis AGC family protein kinase 0.0247 0.1556 0.5019
Loa Loa (eye worm) AUR protein kinase 0.0247 0.1556 0.1556
Loa Loa (eye worm) hypothetical protein 0.1373 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.004 0 0.5
Loa Loa (eye worm) TTK protein kinase 0.0397 0.2678 0.2678
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0247 0.1556 0.5
Brugia malayi serine/threonine protein kinase 6 0.0247 0.1556 0.1556
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0397 0.2678 1
Entamoeba histolytica protein kinase, putative 0.0247 0.1556 0.5
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0247 0.1556 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0397 0.2678 1
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0397 0.2678 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0247 0.1556 1
Loa Loa (eye worm) AUR protein kinase 0.0247 0.1556 0.1556
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0247 0.1556 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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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