Detailed information for compound 1353563

Basic information

Technical information
  • TDR Targets ID: 1353563
  • Name: 3-(1,2-dihydroimidazo[3,2-a]benzimidazol-3-yl )propanenitrile
  • MW: 212.25 | Formula: C12H12N4
  • H donors: 0 H acceptors: 2 LogP: 1.29 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCN1CCn2c1nc1c2cccc1
  • InChi: 1S/C12H12N4/c13-6-3-7-15-8-9-16-11-5-2-1-4-10(11)14-12(15)16/h1-2,4-5H,3,7-9H2
  • InChiKey: KAVOXZSLYSZGMY-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(1,2-dihydroimidazo[3,2-a]benzimidazol-3-yl)propionitrile
  • SMR000034542
  • ZINC01820148
  • STOCK2S-24097
  • ChemDiv2_000740
  • MLS000079845

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) glutaminase 2 0.0323 0.3825 0.8394
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0 0.5
Echinococcus granulosus importin subunit beta 1 0.0034 0.0115 0.0266
Schistosoma mansoni hypothetical protein 0.0032 0.0091 0.0209
Schistosoma mansoni hypothetical protein 0.0032 0.0091 0.0209
Echinococcus granulosus hypothetical protein 0.0032 0.0091 0.0209
Echinococcus multilocularis importin subunit beta 1 0.0034 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0034 0.0115 0.0253
Schistosoma mansoni glutaminase 0.0323 0.3825 0.8798
Brugia malayi Importin beta-1 subunit 0.0034 0.0115 0.0253
Plasmodium vivax importin-beta 2, putative 0.0034 0.0115 1
Mycobacterium ulcerans glutaminase 0.0323 0.3825 0.5
Entamoeba histolytica hypothetical protein 0.0028 0.0033 1
Echinococcus multilocularis protein quaking 0.0032 0.0091 0.0091
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0115 1
Brugia malayi hypothetical protein 0.0032 0.0091 0.02
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0033 0.0086
Loa Loa (eye worm) hypothetical protein 0.0032 0.0091 0.02
Leishmania major importin beta-1 subunit, putative 0.0028 0.0033 1
Brugia malayi Temporarily assigned gene name protein 44 0.0032 0.0091 0.02
Trichomonas vaginalis glutaminase, putative 0.0323 0.3825 1
Brugia malayi RNA, U transporter 1 0.0097 0.0922 0.2023
Toxoplasma gondii HEAT repeat-containing protein 0.0034 0.0115 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0364 0.4348 0.9542
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0033 0.0086
Schistosoma mansoni importin beta-1 0.0034 0.0115 0.0266
Loa Loa (eye worm) tumor suppressor 0.038 0.4557 1
Echinococcus granulosus protein quaking 0.0032 0.0091 0.0209
Brugia malayi glutaminase DH11.1 0.0323 0.3825 0.8394
Loa Loa (eye worm) glutaminase 0.0323 0.3825 0.8394
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0033 1
Plasmodium falciparum importin beta, putative 0.0034 0.0115 1
Schistosoma mansoni hypothetical protein 0.0364 0.4348 1
Brugia malayi tumor suppressor. 0.038 0.4557 1
Echinococcus granulosus snurportin 1 0.0364 0.4348 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0115 1
Echinococcus multilocularis snurportin 1 0.0364 0.4348 0.4348
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0033 0.0086

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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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