Detailed information for compound 165330

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 263.294 | Formula: C16H13N3O
  • H donors: 2 H acceptors: 1 LogP: 2.36 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c[nH]c2c1ccc(c2)C(=N)N)c1ccccc1
  • InChi: 1S/C16H13N3O/c17-16(18)11-6-7-12-13(9-19-14(12)8-11)15(20)10-4-2-1-3-5-10/h1-9,19H,(H3,17,18)
  • InChiKey: FBPHAUFMIPKQEK-UHFFFAOYSA-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
Plasmodium vivax proteasome subunit beta type-5, putative 0.045 0.4755 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.045 0.4755 1
Mycobacterium ulcerans proteasome PrcB 0.045 0.4755 0.5
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0349 0.3391 0.5699
Toxoplasma gondii proteasome subunit beta type, putative 0.045 0.4755 1
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0216 0.1584 0.3331
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0349 0.3391 0.5699
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0216 0.1584 0.1584
Trypanosoma brucei proteasome subunit beta type-5, putative 0.045 0.4755 1
Mycobacterium leprae proteasome (beta subunit) PrcB 0.045 0.4755 0.5
Brugia malayi proteasome subunit beta type 1 0.0349 0.3391 0.7131
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0349 0.3391 0.5699
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.045 0.4755 0.5
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.045 0.4755 1
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0349 0.3391 0.5699
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0349 0.3391 0.3391
Echinococcus multilocularis proteasome (prosome, macropain) 0.045 0.4755 0.4755
Loa Loa (eye worm) proteasome subunit beta type 2 0.0216 0.1584 0.3321
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.045 0.4755 1
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0349 0.3391 0.5699
Leishmania major proteasome beta 5 subunit, putative 0.045 0.4755 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.045 0.4755 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.045 0.4755 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.045 0.4755 1
Echinococcus multilocularis Ankyrin 0.01 0.0007 0.0007
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0835 1 1
Echinococcus granulosus Ankyrin 0.01 0.0007 0.0007
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0349 0.3391 0.7131
Trypanosoma brucei proteasome beta 6 subunit 0.0349 0.3391 0.5699
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.01 0.0007 0.0015
Brugia malayi proteasome subunit beta type 2 0.0216 0.1584 0.3331
Plasmodium falciparum proteasome subunit beta type-5 0.045 0.4755 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.045 0.4755 1
Giardia lamblia Proteasome subunit beta type 1 0.0349 0.3391 0.5699
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0216 0.1584 0.3331
Plasmodium vivax proteasome subunit beta type-1, putative 0.0349 0.3391 0.5699
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0349 0.3391 0.5699
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0349 0.3391 0.5699
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0216 0.1584 0.1584
Brugia malayi Proteasome A-type and B-type family protein 0.045 0.4755 1
Loa Loa (eye worm) proteasome subunit beta type 1 0.0349 0.3391 0.7127
Echinococcus granulosus proteasome prosome macropain 0.045 0.4755 0.4755
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0349 0.3391 0.3391

Activities

Activity type Activity value Assay description Source Reference
Concentration (functional) NB 0 uM Minimum concentration of the compound required for the complete blockage of virus induced cell division ; NB means no blockage of cell fusion at the highest concentration where there is cytotoxicity at 100 microM ChEMBL. 6219223
Ki (binding) > 100 uM Inhibition constant against bovine trypsin ChEMBL. 6219223
Ki (binding) > 100 uM Inhibition constant against bovine trypsin ChEMBL. 6219223
Ki (binding) = 176 uM Inhibition constant against bovine thrombin ChEMBL. 6219223
Ki (binding) = 176 uM Inhibition constant against bovine thrombin ChEMBL. 6219223
Ki (binding) > 200 uM Inhibition constant against human plasminogen ChEMBL. 6219223
Ki (binding) > 200 uM Inhibition constant against human plasminogen ChEMBL. 6219223
Ki (binding) = 267 uM Inhibition constant against Urokinase ChEMBL. 6219223
Ki (binding) = 267 uM Inhibition constant against Urokinase ChEMBL. 6219223

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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