Detailed information for compound 2071823

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 347.796 | Formula: C17H18ClN3O3
  • H donors: 0 H acceptors: 3 LogP: 1.81 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)N1CCCC1=O)C(=O)N(Cc1noc(c1)C)C
  • InChi: 1S/C17H18ClN3O3/c1-11-8-13(19-24-11)10-20(2)17(23)14-6-5-12(18)9-15(14)21-7-3-4-16(21)22/h5-6,8-9H,3-4,7,10H2,1-2H3
  • InChiKey: LMZLZGIMWJFRIO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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) hypothetical protein 0.0017 0.0073 0.0083
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.01 0.5
Schistosoma mansoni regulator of G protein signaling 0.0023 0.0158 0.0086
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.01 0.0081
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0028 0.0032
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0017 0.0073 0.0051
Echinococcus granulosus lamin dm0 0.0027 0.0213 0.0206
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0158 0.0182
Schistosoma mansoni survival motor neuron protein 0.008 0.0998 0.0932
Loa Loa (eye worm) hypothetical protein 0.0023 0.0158 0.0179
Onchocerca volvulus 0.0236 0.3311 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0158 0.0179
Schistosoma mansoni z-protein (S1r protein) 0.0023 0.0158 0.0086
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.006 0.0706 0.08
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0023 0.0158 0.0086
Echinococcus multilocularis musashi 0.0027 0.0213 0.0206
Entamoeba histolytica hypothetical protein 0.0023 0.0158 1
Echinococcus granulosus voltage gated potassium channel 0.0017 0.0073 0.0066
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0023 0.0158 0.0179
Brugia malayi hypothetical protein 0.0391 0.5615 0.6347
Loa Loa (eye worm) RGS-3 protein 0.0023 0.0158 0.0179
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0158 0.0086
Echinococcus multilocularis regulator of G protein signaling 3 0.0023 0.0158 0.0151
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0256 0.0184
Loa Loa (eye worm) hypothetical protein 0.0023 0.0158 0.0179
Echinococcus multilocularis voltage gated potassium channel 0.0017 0.0073 0.0066
Loa Loa (eye worm) hypothetical protein 0.0383 0.5494 0.6222
Schistosoma mansoni regulator of G protein signaling 0.0023 0.0158 0.0086
Schistosoma mansoni transcription factor LCR-F1 0.0023 0.0152 0.0079
Echinococcus granulosus regulator of G protein signaling 7 0.0023 0.0158 0.0151
Loa Loa (eye worm) hypothetical protein 0.0391 0.5615 0.6359
Brugia malayi PXA domain containing protein 0.0023 0.0158 0.0148
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.01 1
Schistosoma mansoni regulator of G protein signaling 0.0023 0.0158 0.0086
Echinococcus multilocularis lamin dm0 0.0027 0.0213 0.0206
Echinococcus multilocularis axis inhibition protein axin 0.0023 0.0158 0.0151
Onchocerca volvulus 0.008 0.0998 0.2534
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.01 0.0093
Entamoeba histolytica hypothetical protein 0.0023 0.0158 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.01 0.0113
Leishmania major DNA polymerase kappa, putative 0.0019 0.01 0.5
Schistosoma mansoni hypothetical protein 0.0023 0.0152 0.0079
Giardia lamblia DINP protein human, muc B family 0.0019 0.01 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0256 0.5
Brugia malayi PXA domain containing protein 0.0023 0.0158 0.0148
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.01 0.0027
Entamoeba histolytica hypothetical protein 0.0023 0.0158 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0256 0.0184
Schistosoma mansoni regulator of G protein signaling 0.0023 0.0158 0.0086
Entamoeba histolytica hypothetical protein 0.0023 0.0152 0.884
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.01 1
Trypanosoma brucei unspecified product 0.0019 0.01 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0158 0.0179
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 1
Schistosoma mansoni lamin 0.0027 0.0213 0.0141
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0017 0.0073 0.0066
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0023 0.0158 0.0182
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.2887 0.3269
Echinococcus multilocularis expressed protein 0.0451 0.6497 0.6494
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0158 0.0182
Brugia malayi Pre-SET motif family protein 0.003 0.0256 0.0258
Echinococcus granulosus lamin 0.0027 0.0213 0.0206
Echinococcus multilocularis axis inhibition protein axin 0.0023 0.0158 0.0151
Echinococcus multilocularis regulator of G protein signaling 7 0.0023 0.0158 0.0151
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.01 0.0081
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.006 0.0706 0.0699
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0023 0.0158 0.0086
Echinococcus granulosus regulator of G protein signaling 3 0.0023 0.0158 0.0151
Schistosoma mansoni DNA polymerase eta 0.0019 0.01 0.0027
Entamoeba histolytica hypothetical protein 0.0023 0.0152 0.884
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0213 0.0241
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0158 0.0086
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.01 0.0027
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.0788 0.072
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0023 0.0158 0.0151
Trichomonas vaginalis set domain proteins, putative 0.0236 0.3311 1
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0158 0.0086
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.024 0.0232
Loa Loa (eye worm) hypothetical protein 0.0019 0.01 0.0113
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0588 0.0666
Loa Loa (eye worm) PXA domain-containing protein 0.0023 0.0158 0.0179
Schistosoma mansoni axis inhibition protein axin 0.0023 0.0158 0.0086
Echinococcus multilocularis dna polymerase kappa 0.0019 0.01 0.0093
Entamoeba histolytica hypothetical protein 0.0023 0.0152 0.884
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0158 0.0182
Echinococcus granulosus Regulator of G protein signaling 20 0.0023 0.0158 0.0151
Echinococcus granulosus axis inhibition protein axin 0.0023 0.0158 0.0151
Schistosoma mansoni voltage-gated potassium channel 0.0066 0.0788 0.072
Leishmania major DNA polymerase eta, putative 0.0019 0.01 0.5
Brugia malayi A-kinase anchor protein 10, precursor 0.0023 0.0158 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0158 0.0182
Brugia malayi hypothetical protein 0.0023 0.0158 0.0148
Loa Loa (eye worm) hypothetical protein 0.0023 0.0158 0.0179
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0023 0.0152 0.0144
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0256 0.0184
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0023 0.0152 0.0144
Echinococcus multilocularis beta adrenergic receptor kinase 0.0023 0.0158 0.0151
Echinococcus multilocularis Regulator of G protein signaling 20 0.0023 0.0158 0.0151
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0023 0.0158 0.0148
Echinococcus granulosus potassium voltage gated channel subfamily H 0.006 0.0706 0.0699
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0023 0.0158 0.0086
Brugia malayi regulator of G-protein signaling egl-10 0.0023 0.0158 0.0148
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.01 0.0093
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0017 0.0073 0.0066
Echinococcus multilocularis dna polymerase eta 0.0019 0.01 0.0093
Schistosoma mansoni regulator of G protein signaling 0.0023 0.0158 0.0086
Echinococcus granulosus beta-adrenergic receptor kinase 0.0023 0.0158 0.0151
Brugia malayi NNMT/PNMT/TEMT family protein 0.0608 0.883 1
Brugia malayi intermediate filament protein 0.0027 0.0213 0.021
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0213 0.0241
Schistosoma mansoni lamin 0.0027 0.0213 0.0141
Brugia malayi regulator of G-protein signaling rgs-7 0.0023 0.0158 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0158 0.0182
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0165 0.2265 1
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0256 0.0249
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0158 0.0182
Schistosoma mansoni hypothetical protein 0.0169 0.2316 0.2259
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.01 1
Echinococcus granulosus dna polymerase kappa 0.0019 0.01 0.0093
Onchocerca volvulus 0.003 0.0256 0.0137
Loa Loa (eye worm) hypothetical protein 0.0026 0.0206 0.0233
Echinococcus multilocularis regulator of G protein signaling 0.0023 0.0158 0.0151
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0256 0.0249
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0256 0.0184
Schistosoma mansoni hypothetical protein 0.0169 0.2316 0.2259
Mycobacterium ulcerans epoxide hydrolase EphA 0.0165 0.2265 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.01 0.5
Schistosoma mansoni intermediate filament proteins 0.0027 0.0213 0.0141
Schistosoma mansoni microtubule-associated protein tau 0.0687 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 1
Echinococcus granulosus regulator of G protein signaling 7 0.0023 0.0158 0.0151
Entamoeba histolytica hypothetical protein 0.0023 0.0152 0.884
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0256 0.0249
Echinococcus granulosus geminin 0.0169 0.2316 0.2311
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0023 0.0158 0.0179
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 1
Echinococcus multilocularis geminin 0.0169 0.2316 0.2311
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.01 0.5
Echinococcus granulosus regulator of G protein signaling 3 0.0023 0.0158 0.0151
Echinococcus granulosus survival motor neuron protein 1 0.0391 0.5615 0.5612
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.008 0.0998 0.1102
Echinococcus multilocularis regulator of G protein signaling 3 0.0023 0.0158 0.0151
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.01 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.01 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0213 0.0206
Schistosoma mansoni hypothetical protein 0.008 0.0998 0.0932
Schistosoma mansoni axis inhibition protein axin 0.0023 0.0158 0.0086
Brugia malayi hypothetical protein 0.0023 0.0158 0.0148
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0008
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 1
Brugia malayi hypothetical protein 0.0023 0.0152 0.014
Echinococcus multilocularis microtubule associated protein 2 0.0687 1 1
Echinococcus granulosus expressed protein 0.0451 0.6497 0.6494
Echinococcus multilocularis lamin 0.0027 0.0213 0.0206
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 1
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0608 0.883 1
Brugia malayi Pre-SET motif family protein 0.0207 0.2887 0.3248
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.01 0.5
Brugia malayi Regulator of G protein signaling domain containing protein 0.0023 0.0158 0.0148
Echinococcus granulosus axis inhibition protein axin 0.0023 0.0158 0.0151
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0023 0.0158 0.0148
Echinococcus multilocularis survival motor neuron protein 1 0.0391 0.5615 0.5612
Loa Loa (eye worm) hypothetical protein 0.0027 0.0213 0.0241
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0023 0.0158 0.0179
Loa Loa (eye worm) hypothetical protein 0.003 0.0256 0.029
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0056 0.0647 0.1705
Loa Loa (eye worm) hypothetical protein 0.0608 0.883 1
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0023 0.0158 0.0151
Loa Loa (eye worm) hypothetical protein 0.0023 0.0158 0.0179
Brugia malayi hypothetical protein 0.0147 0.1994 0.2233
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0056 0.0647 0.1705
Loa Loa (eye worm) hypothetical protein 0.0608 0.883 1
Plasmodium vivax SET domain protein, putative 0.003 0.0256 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0213 0.021
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.01 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0023 0.0158 0.0151
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.006 0.0706 0.077
Echinococcus granulosus dna polymerase eta 0.0019 0.01 0.0093

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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