Detailed information for compound 938387

Basic information

Technical information
  • TDR Targets ID: 938387
  • Name: 2-(5-chloro-1H-indol-3-yl)-N-[(1S)-1-(4-methy lphenyl)ethyl]-2-oxoacetamide
  • MW: 340.803 | Formula: C19H17ClN2O2
  • H donors: 2 H acceptors: 2 LogP: 4.1 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)[C@@H](NC(=O)C(=O)c1c[nH]c2c1cc(Cl)cc2)C
  • InChi: 1S/C19H17ClN2O2/c1-11-3-5-13(6-4-11)12(2)22-19(24)18(23)16-10-21-17-8-7-14(20)9-15(16)17/h3-10,12,21H,1-2H3,(H,22,24)/t12-/m0/s1
  • InChiKey: XZFSNXXZUYDNQE-LBPRGKRZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(5-chloro-1H-indol-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-acetamide
  • 2-(5-chloro-1H-indol-3-yl)-2-keto-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
  • 2-(5-chloro-1H-indol-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-oxo-ethanamide

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
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0145 0.1009 0.075
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0197 0.1765 0.1528
Giardia lamblia Proteasome subunit beta type 1 0.0197 0.1765 0.1528
Brugia malayi Proteasome A-type and B-type family protein 0.0666 0.8545 0.8545
Brugia malayi proteasome subunit alpha type 2 0.0095 0.028 0.028
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0767 1 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0767 1 1
Brugia malayi Proteasome A-type and B-type family protein 0.0095 0.028 0.028
Brugia malayi proteasome subunit alpha type 6 0.0095 0.028 0.028
Trypanosoma brucei proteasome beta 6 subunit 0.0197 0.1765 0.1528
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0197 0.1765 0.1528
Loa Loa (eye worm) proteasome subunit beta type 2 0.0145 0.1009 0.1009
Brugia malayi Proteasome subunit alpha type 1 0.0095 0.028 0.028
Loa Loa (eye worm) proteasome subunit alpha type 6 0.0095 0.028 0.028
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0767 1 1
Brugia malayi Proteasome A-type and B-type family protein 0.0095 0.028 0.028
Toxoplasma gondii proteasome subunit beta type 7 precursor, putative 0.0181 0.1531 0.1288
Loa Loa (eye worm) 20S proteasome alpha5 subunit 0.0095 0.028 0.028
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0767 1 1
Plasmodium falciparum proteasome subunit beta type-5 0.0767 1 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0294 0.3161 0.3161
Echinococcus multilocularis proteasome subunit beta type 7 0.0666 0.8545 0.8503
Giardia lamblia Proteasome subunit beta type 2 0.0145 0.1009 0.075
Loa Loa (eye worm) proteasome subunit alpha type 7-1 0.0095 0.028 0.028
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0246 0.2471 0.2255
Brugia malayi proteasome subunit beta type 2 0.0145 0.1009 0.1009
Echinococcus granulosus proteasome prosome macropain 0.0767 1 1
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0145 0.1009 0.075
Brugia malayi proteasome subunit alpha type 1 0.0095 0.028 0.028
Loa Loa (eye worm) glutamate receptor 0.0294 0.3161 0.3161
Trypanosoma brucei proteasome beta 2 subunit, putative 0.0181 0.1531 0.1288
Loa Loa (eye worm) hypothetical protein 0.0362 0.4144 0.4144
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0767 1 1
Brugia malayi proteasome subunit beta type 3 0.0095 0.028 0.028
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0197 0.1765 0.1528
Brugia malayi 20S proteasome alpha5 subunit 0.0095 0.028 0.028
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0767 1 1
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0197 0.1765 0.1528
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0767 1 1
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0197 0.1765 0.1528
Schistosoma mansoni metabotropic glutamate receptor 0.0246 0.2471 0.2255
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0334 0.3744 0.3564
Plasmodium falciparum proteasome subunit beta type-7, putative 0.0181 0.1531 0.1288
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.0666 0.8545 0.8503
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0095 0.028 0.028
Trypanosoma cruzi proteasome beta 2 subunit, putative 0.0181 0.1531 0.1288
Loa Loa (eye worm) proteasome subunit beta type 3 0.0095 0.028 0.028
Echinococcus multilocularis proteasome (prosome, macropain) 0.0767 1 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0181 0.1531 0.1531
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0145 0.1009 0.075
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0145 0.1009 0.075
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0197 0.1765 0.1528
Toxoplasma gondii proteasome subunit beta type, putative 0.0767 1 1
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0197 0.1765 0.1528
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0197 0.1765 0.1528
Brugia malayi Proteasome subunit alpha type 7-1 0.0095 0.028 0.028
Leishmania major proteasome beta 2 subunit, putative 0.0145 0.1009 0.075
Leishmania major proteasome beta 5 subunit, putative 0.0767 1 1
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0145 0.1009 0.075
Giardia lamblia Proteasome subunit beta type 7 precursor 0.0181 0.1531 0.1288
Trypanosoma cruzi 20S proteasome subunit 0.0145 0.1009 0.075
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0145 0.1009 0.075
Loa Loa (eye worm) proteasome subunit alpha type 2 0.0095 0.028 0.028
Loa Loa (eye worm) proteasome subunit beta type 1 0.0197 0.1765 0.1765
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0145 0.1009 0.075
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0145 0.1009 0.075
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0197 0.1765 0.1528
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0095 0.028 0.5
Echinococcus granulosus metabotropic glutamate receptor 5 0.0362 0.4144 0.3975
Loa Loa (eye worm) glutamate receptor 0.0116 0.0583 0.0583
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0145 0.1009 0.075
Echinococcus granulosus proteasome subunit beta type 7 0.0666 0.8545 0.8503
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0767 1 1
Schistosoma mansoni metabotropic glutamate receptor 0.0143 0.0982 0.0723
Brugia malayi metabotropic glutamate receptor type 2 0.0143 0.0982 0.0982
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0767 1 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0246 0.2471 0.2255
Loa Loa (eye worm) proteasome subunit alpha type 3 0.0095 0.028 0.028
Plasmodium vivax proteasome subunit beta type-5, putative 0.0767 1 1
Entamoeba histolytica proteasome subunit beta type 7-B precursor, putative 0.0181 0.1531 0.1288
Plasmodium vivax proteasome subunit beta type-1, putative 0.0197 0.1765 0.1528
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0145 0.1009 0.075
Onchocerca volvulus Notchless protein homolog 0.0095 0.028 0.5
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0767 1 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0362 0.4144 0.3975
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0095 0.028 0.028
Plasmodium vivax proteasome subunit beta type-7, putative 0.0181 0.1531 0.1288
Brugia malayi proteasome subunit beta type 1 0.0197 0.1765 0.1765
Leishmania major proteasome beta 2 subunit, putative 0.0181 0.1531 0.1288
Brugia malayi proteasome subunit alpha type 4 0.0095 0.028 0.028
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0145 0.1009 0.075
Loa Loa (eye worm) PAS-3 protein 0.0095 0.028 0.028
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0197 0.1765 0.1528
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0181 0.1531 0.1288
Mycobacterium ulcerans proteasome PrcB 0.0767 1 1
Brugia malayi proteasome subunit alpha type 3 0.0095 0.028 0.028
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0266 0.2762 0.2762
Plasmodium vivax proteasome subunit beta type-2, putative 0.0145 0.1009 0.075
Loa Loa (eye worm) proteasome subunit alpha type 1 0.0095 0.028 0.028

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) <= 80 % Inhibition of [3H]- flumazenil binding to benzodiazepine receptor in bovine brain membranes at a dose of 10 uM ChEMBL. 11428922

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.