Detailed information for compound 653906

Basic information

Technical information
  • TDR Targets ID: 653906
  • Name: 2-(3-butyl-2-iminobenzimidazol-1-yl)acetic ac id
  • MW: 247.293 | Formula: C13H17N3O2
  • H donors: 1 H acceptors: 2 LogP: 1.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCn1c(=N)n(c2c1cccc2)CC(=O)O
  • InChi: 1S/C13H17N3O2/c1-2-3-8-15-10-6-4-5-7-11(10)16(13(15)14)9-12(17)18/h4-7,14H,2-3,8-9H2,1H3,(H,17,18)
  • InChiKey: UFHGIBUXAYYQPM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(3-butyl-2-imino-benzimidazol-1-yl)acetic acid
  • 2-(3-butyl-2-imino-1-benzimidazolyl)acetic acid
  • 2-(3-butyl-2-imino-benzimidazol-1-yl)ethanoic acid
  • (3-Butyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid
  • BAS 00631182
  • EU-0036607
  • Oprea1_176906
  • STK038899
  • Oprea1_663097
  • 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)acetate
  • 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetate
  • 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)acetate
  • 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)ethanoate
  • ZINC02268121

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) nuclear hormone receptor family member nhr-14 0.001 0.0365 0.0418
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0365 0.0418
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0365 0.0395
Loa Loa (eye worm) hypothetical protein 0.001 0.0365 0.0418
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0365 0.0365
Brugia malayi MH2 domain containing protein 0.0119 0.8729 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0365 0.0365
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0365 0.0395
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0365 0.0418
Schistosoma mansoni thyroid hormone receptor 0.0135 1 1
Schistosoma mansoni coup transcription factor 0.001 0.0365 0.0365
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0365 0.0418
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0365 0.0418
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.8729 1
Schistosoma mansoni Smad4 0.0008 0.0214 0.0214
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0365 0.0418
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0365 0.0365
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0214 0.0245
Schistosoma mansoni nuclear hormone receptor 0.001 0.0365 0.0365
Brugia malayi MH2 domain containing protein 0.0008 0.0214 0.0245
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0214 0.0245
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0365 0.0418
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0365 0.0395
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0365 0.0395
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0365 0.0365
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0214 0.0214
Brugia malayi MH1 domain containing protein 0.0008 0.0214 0.0245
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0365 0.0418
Loa Loa (eye worm) hypothetical protein 0.001 0.0365 0.0418
Onchocerca volvulus 0.001 0.0365 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0365 0.0395
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0365 0.0365
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0125 0.9226 0.9226
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0365 0.0418
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0214 0.0214
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0365 0.0418
Brugia malayi Smad1 0.0008 0.0214 0.0245
Brugia malayi MH1 domain containing protein 0.0008 0.0214 0.0245
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0365 0.0418
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0365 0.0418
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0365 0.0418
Brugia malayi ecdysteroid receptor 0.001 0.0365 0.0418
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0365 0.0365
Loa Loa (eye worm) hypothetical protein 0.001 0.0365 0.0418
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0214 0.0214
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0365 0.0395
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0365 0.0395
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0365 0.0418
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0365 0.0418
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0365 0.0365
Echinococcus granulosus smad 0.0008 0.0214 0.0232
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0365 0.0418
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0365 0.0418
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0125 0.9226 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0365 0.0418
Loa Loa (eye worm) hypothetical protein 0.001 0.0365 0.0418
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0365 0.0365
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0365 0.0365
Brugia malayi MH2 domain containing protein 0.0008 0.0214 0.0245
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0365 0.0365
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0365 0.0365
Loa Loa (eye worm) hypothetical protein 0.001 0.0365 0.0418
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0365 0.0365
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0214 0.0232
Loa Loa (eye worm) Smad1 0.0008 0.0214 0.0245
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0365 0.0418
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0365 0.0365
Loa Loa (eye worm) hypothetical protein 0.001 0.0365 0.0418
Echinococcus granulosus Smad4 0.0008 0.0214 0.0232
Schistosoma mansoni smad1 5 8 and 0.0008 0.0214 0.0214
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0365 0.5
Schistosoma mansoni hypothetical protein 0.0125 0.9226 0.9226
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0365 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0365 0.0418
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0365 0.0365
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.8729 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0214 0.0214
Brugia malayi steroid hormone receptor 0.001 0.0365 0.0418
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0365 0.0365
Brugia malayi nuclear hormone receptor 0.001 0.0365 0.0418
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0365 0.0418
Loa Loa (eye worm) hypothetical protein 0.001 0.0365 0.0418
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0365 0.0365
Echinococcus granulosus FTZ F1 alpha 0.001 0.0365 0.0395
Schistosoma mansoni smad 0.0008 0.0214 0.0214
Schistosoma mansoni smad1 5 8 and 0.0008 0.0214 0.0214
Brugia malayi nuclear receptor NHR-88 0.001 0.0365 0.0418
Echinococcus multilocularis smad 0.0008 0.0214 0.0214
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0365 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0365 0.0418
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0365 0.0365
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0214 0.0232
Echinococcus multilocularis Smad4 0.0008 0.0214 0.0214
Schistosoma mansoni thyroid hormone receptor 0.0135 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0365 0.0418
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0365 0.0418
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0365 0.0418
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0365 0.0395

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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