Detailed information for compound 1529369

Basic information

Technical information
  • TDR Targets ID: 1529369
  • Name: 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbo nyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
  • MW: 416.515 | Formula: C25H28N4O2
  • H donors: 1 H acceptors: 3 LogP: 3.02 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC(=O)N(C1)c1ccc(c(c1)C)C)N1CCC(CC1)c1nc2c([nH]1)cccc2
  • InChi: 1S/C25H28N4O2/c1-16-7-8-20(13-17(16)2)29-15-19(14-23(29)30)25(31)28-11-9-18(10-12-28)24-26-21-5-3-4-6-22(21)27-24/h3-8,13,18-19H,9-12,14-15H2,1-2H3,(H,26,27)
  • InChiKey: LRTFZHQJXYULPZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]-1-(3,4-dimethylphenyl)-2-pyrrolidinone
  • 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)-2-pyrrolidone
  • 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-1-(3,4-dimethylphenyl)pyrrolidin-2-one

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
Leishmania major proteasome beta 2 subunit, putative 0.0122 0.2268 0.3546
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0197 0.4468 0.7224
Loa Loa (eye worm) proteasome subunit alpha type 2 0.005 0.0148 0.0241
Loa Loa (eye worm) proteasome subunit beta type 2 0.0122 0.2268 0.3701
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.005 0.0148 0.0241
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0122 0.2268 0.3546
Echinococcus granulosus proteasome subunit beta type 7 0.005 0.0148 0.0148
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0122 0.2268 0.3546
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0122 0.2268 0.2268
Echinococcus multilocularis proteasome (prosome, macropain) 0.0254 0.6128 0.6128
Echinococcus multilocularis proteasome subunit alpha type 2 0.005 0.0148 0.0148
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0254 0.6128 1
Brugia malayi Proteasome A-type and B-type family protein 0.0254 0.6128 1
Trypanosoma brucei proteasome beta 6 subunit 0.0197 0.4468 0.7224
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0254 0.6128 1
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.005 0.0148 0.0241
Schistosoma mansoni proteasome subunit alpha 2 (T01 family) 0.005 0.0148 0.0241
Loa Loa (eye worm) proteasome subunit alpha type 3 0.005 0.0148 0.0241
Giardia lamblia Proteasome subunit beta type 1 0.0197 0.4468 0.7224
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.005 0.0148 0.5
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0197 0.4468 0.7224
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.005 0.0148 0.0241
Echinococcus multilocularis Proteasome subunit alpha type 7 0.005 0.0148 0.0148
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0254 0.6128 1
Echinococcus multilocularis subfamily T1A non peptidase ue 0.005 0.0148 0.0148
Plasmodium falciparum proteasome subunit beta type-5 0.0254 0.6128 1
Echinococcus multilocularis proteasome (prosome macropain) subunit beta type 0.005 0.0148 0.0148
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.005 0.0148 0.0241
Echinococcus multilocularis proteasome subunit beta type 7 0.005 0.0148 0.0148
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.005 0.0148 0.0241
Loa Loa (eye worm) 20S proteasome alpha5 subunit 0.005 0.0148 0.0241
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0122 0.2268 0.3546
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0122 0.2268 0.3546
Echinococcus multilocularis proteasome subunit alpha type 6 0.005 0.0148 0.0148
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.005 0.0148 0.0241
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0197 0.4468 0.4468
Loa Loa (eye worm) proteasome subunit alpha type 7-1 0.005 0.0148 0.0241
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0122 0.2268 0.2268
Leishmania major proteasome beta 5 subunit, putative 0.0254 0.6128 1
Echinococcus granulosus proteasome subunit beta t family 0.005 0.0148 0.0148
Echinococcus multilocularis Proteasome, subunit alpha beta 0.005 0.0148 0.0148
Giardia lamblia Proteasome subunit beta type 2 0.0122 0.2268 0.3546
Echinococcus granulosus proteasome subunit alpha type 6 0.005 0.0148 0.0148
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.005 0.0148 0.0241
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0254 0.6128 1
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0254 0.6128 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0254 0.6128 1
Echinococcus multilocularis proteasome (prosome macropain) subunit alpha 0.005 0.0148 0.0148
Schistosoma mansoni proteasome subunit alpha 7 (T01 family) 0.005 0.0148 0.0241
Loa Loa (eye worm) proteasome subunit beta type 1 0.0197 0.4468 0.7291
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0254 0.6128 1
Echinococcus multilocularis proteasome subunit beta type 6 0.005 0.0148 0.0148
Schistosoma mansoni proteasome subunit beta 4 (T01 family) 0.005 0.0148 0.0241
Trypanosoma cruzi 20S proteasome subunit 0.0122 0.2268 0.3546
Loa Loa (eye worm) proteasome subunit beta type 3 0.005 0.0148 0.0241
Loa Loa (eye worm) proteasome subunit alpha type 1 0.005 0.0148 0.0241
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0386 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0122 0.2268 0.3546
Echinococcus granulosus proteasome prosome macropain 0.0254 0.6128 0.6128
Plasmodium vivax proteasome subunit beta type-2, putative 0.0122 0.2268 0.3546
Brugia malayi proteasome subunit beta type 2 0.0122 0.2268 0.3546
Echinococcus multilocularis 20S proteasome subunit alpha 6 0.005 0.0148 0.0148
Loa Loa (eye worm) PAS-3 protein 0.005 0.0148 0.0241
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.005 0.0148 0.0241
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0122 0.2268 0.3546
Toxoplasma gondii proteasome subunit beta type, putative 0.0254 0.6128 1
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0122 0.2268 0.3701
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0197 0.4468 0.7224
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0254 0.6128 1
Echinococcus multilocularis proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta 0.005 0.0148 0.0148
Echinococcus granulosus proteasome subunit beta type 6 0.005 0.0148 0.0148
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0122 0.2268 0.3701
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0197 0.4468 0.7224
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.005 0.0148 0.0241
Schistosoma mansoni proteasome subunit alpha 3 (T01 family) 0.005 0.0148 0.0241
Schistosoma mansoni proteasome catalytic subunit 1 (T01 family) 0.005 0.0148 0.0241
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0254 0.6128 1
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0197 0.4468 0.7224
Echinococcus granulosus subfamily T1A non peptidase ue 0.005 0.0148 0.0148
Brugia malayi proteasome subunit beta type 1 0.0197 0.4468 0.7224
Loa Loa (eye worm) proteasome subunit alpha type 6 0.005 0.0148 0.0241
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0197 0.4468 0.7224
Onchocerca volvulus Notchless protein homolog 0.005 0.0148 0.5
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.005 0.0148 0.0241
Echinococcus granulosus proteasome subunit alpha type 2 0.005 0.0148 0.0148
Echinococcus multilocularis Proteasome subunit alpha type 7 0.005 0.0148 0.0148
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0254 0.6128 1
Echinococcus multilocularis Proteasome subunit alpha type 7 0.005 0.0148 0.0148
Echinococcus granulosus Proteasome subunit alpha type 7 0.005 0.0148 0.0148
Mycobacterium ulcerans proteasome PrcB 0.0254 0.6128 1
Schistosoma mansoni proteasome subunit alpha 4 (T01 family) 0.005 0.0148 0.0241
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0197 0.4468 0.7291
Echinococcus granulosus 20S proteasome subunit alpha 6 0.005 0.0148 0.0148
Echinococcus granulosus Proteasome subunit alpha beta 0.005 0.0148 0.0148
Echinococcus granulosus proteasome prosome macropain subunit beta type 0.005 0.0148 0.0148
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0122 0.2268 0.3546
Plasmodium vivax proteasome subunit beta type-1, putative 0.0197 0.4468 0.7224
Plasmodium vivax proteasome subunit beta type-5, putative 0.0254 0.6128 1
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0197 0.4468 0.4468
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0197 0.4468 0.7224
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.005 0.0148 0.0241
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.005 0.0148 0.0241
Echinococcus granulosus proteasome prosome macropain subunit alpha 0.005 0.0148 0.0148

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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