Detailed information for compound 1482299

Basic information

Technical information
  • TDR Targets ID: 1482299
  • Name: 2-chloro-N-[[1-(1,3-thiazole-4-carbonyl)piper idin-3-yl]methyl]benzamide
  • MW: 363.862 | Formula: C17H18ClN3O2S
  • H donors: 1 H acceptors: 3 LogP: 3.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1Cl)NCC1CCCN(C1)C(=O)c1cscn1
  • InChi: 1S/C17H18ClN3O2S/c18-14-6-2-1-5-13(14)16(22)19-8-12-4-3-7-21(9-12)17(23)15-10-24-11-20-15/h1-2,5-6,10-12H,3-4,7-9H2,(H,19,22)
  • InChiKey: UZFYGSNTFQTYHK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-N-[[1-(thiazole-4-carbonyl)-3-piperidyl]methyl]benzamide
  • 2-chloro-N-[[1-[oxo-(4-thiazolyl)methyl]-3-piperidinyl]methyl]benzamide
  • 2-chloro-N-[[1-(1,3-thiazol-4-ylcarbonyl)piperidin-3-yl]methyl]benzamide
  • 2-chloro-N-{[1-(1,3-thiazol-4-ylcarbonyl)piperidin-3-yl]methyl}benzamide
  • MLS000733150
  • SMR000319088

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

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
Plasmodium falciparum cysteine proteinase falcipain 3 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0054 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0054 1 1
Loa Loa (eye worm) fibroinase 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0054 1 1
Brugia malayi hypothetical protein 0.0043 0.594 0.594
Onchocerca volvulus Cathepsin L homolog 0.0054 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Schistosoma mansoni hypothetical protein 0.0043 0.594 0.594
Onchocerca volvulus 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Onchocerca volvulus Cathepsin F homolog 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Brugia malayi cathepsin L-like precursor 0.0036 0.3182 0.3182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.594 0.594
Onchocerca volvulus 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 0.5
Onchocerca volvulus Cathepsin L homolog 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0054 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.594 0.594
Loa Loa (eye worm) hypothetical protein 0.0054 1 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0054 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0054 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.594 0.594
Echinococcus granulosus cathepsin l cysteine peptidase 0.0054 1 1
Toxoplasma gondii cathepsin CPL 0.0054 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Plasmodium vivax vivapain-2 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 0.5
Echinococcus multilocularis cathepsin L cysteine protease 0.0054 1 1
Echinococcus granulosus cathepsin l1 0.0036 0.3182 0.3182
Schistosoma mansoni cathepsin F (C01 family) 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Loa Loa (eye worm) ctsf protein 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.594 0.594
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0036 0.3182 0.3182
Leishmania major cathepsin L-like protease 0.0054 1 0.5
Loa Loa (eye worm) cysteine protease 0.0054 1 1
Echinococcus multilocularis cysteine protease 0.0054 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0054 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0036 0.3182 0.3182
Echinococcus granulosus cathepsin l1 0.0054 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0054 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0054 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.3182 0.3182
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.594 0.594
Leishmania major cathepsin L-like protease 0.0054 1 0.5
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0054 1 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.594 0.594
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.3182 0.3182
Trypanosoma cruzi cruzipain precursor, putative 0.0054 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.594 0.594
Schistosoma mansoni cathepsin F (C01 family) 0.0036 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Echinococcus multilocularis cysteine protease 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0054 1 1
Brugia malayi Cathepsin L-like precursor 0.0036 0.3182 0.3182
Leishmania major cathepsin L-like protease 0.0054 1 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Entamoeba histolytica cysteine protease, putative 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Onchocerca volvulus 0.0054 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0036 0.3182 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Plasmodium vivax vivapain-2 0.0054 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 1 1
Leishmania major cathepsin L-like protease 0.0054 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 1 1
Leishmania major cysteine peptidase A (CPA) 0.0054 1 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0036 0.3182 0.3182

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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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