Detailed information for compound 1759450

Basic information

Technical information
  • TDR Targets ID: 1759450
  • Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulf anylpropyl]cyclopentanecarboxamide
  • MW: 317.449 | Formula: C17H23N3OS
  • H donors: 2 H acceptors: 2 LogP: 3.22 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSCC[C@@H](c1nc2c([nH]1)cccc2)NC(=O)C1CCCC1
  • InChi: 1S/C17H23N3OS/c1-22-11-10-15(20-17(21)12-6-2-3-7-12)16-18-13-8-4-5-9-14(13)19-16/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,18,19)(H,20,21)/t15-/m0/s1
  • InChiKey: UPCVEELDZLUONI-HNNXBMFYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]cyclopentanecarboxamide
  • N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]cyclopentanecarboxamide
  • T5278864
  • MLS000516227
  • SMR000342460

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
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0196 1 1
Schistosoma mansoni acetyl-CoA carboxylase 0.0196 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0158 0.7401 0.5
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0158 0.7401 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0158 0.7401 0.7401
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0158 0.7401 0.5
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0075 0.1741 0.1741
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0189 0.9533 1
Plasmodium falciparum proteasome subunit beta type-5 0.0158 0.7401 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.0121 0.4918 0.5614
Plasmodium vivax proteasome subunit beta type-5, putative 0.0158 0.7401 1
Trypanosoma brucei acetyl-CoA carboxylase 0.0196 1 1
Echinococcus granulosus proteasome prosome macropain 0.0158 0.7401 0.6853
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0075 0.1741 0.1741
Echinococcus multilocularis proteasome (prosome, macropain) 0.0158 0.7401 0.6853
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0158 0.7401 1
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0196 1 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0158 0.7401 0.6853
Leishmania major proteasome beta 5 subunit, putative 0.0158 0.7401 0.6853
Brugia malayi Carboxyl transferase domain containing protein 0.0189 0.9533 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0158 0.7401 0.5
Chlamydia trachomatis biotin carboxylase 0.0068 0.1274 0.5
Leishmania major acetyl-CoA carboxylase, putative 0.0196 1 1
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0075 0.1741 0.5
Mycobacterium ulcerans proteasome PrcB 0.0158 0.7401 1
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0196 1 1
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0158 0.7401 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0158 0.7401 0.6853
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0158 0.7401 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 50.1187 uM PubChem BioAssay. Inhibitors of USP1/UAF1: 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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