Detailed information for compound 1407536

Basic information

Technical information
  • TDR Targets ID: 1407536
  • Name: N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiper azin-1-yl)propanamide
  • MW: 311.807 | Formula: C15H22ClN3O2
  • H donors: 1 H acceptors: 1 LogP: 1.48 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(NC(=O)CCN2CCN(CC2)C)cc(c1)Cl
  • InChi: 1S/C15H22ClN3O2/c1-18-5-7-19(8-6-18)4-3-15(20)17-13-9-12(16)10-14(11-13)21-2/h9-11H,3-8H2,1-2H3,(H,17,20)
  • InChiKey: HCKWIPZUZTYWHG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-chloro-5-methoxy-phenyl)-3-(4-methylpiperazin-1-yl)propanamide
  • N-(3-chloro-5-methoxyphenyl)-3-(4-methyl-1-piperazinyl)propanamide
  • N-(3-chloro-5-methoxy-phenyl)-3-(4-methylpiperazin-1-yl)propionamide
  • BAS 01508428
  • STOCK2S-88195
  • Oprea1_147306
  • MLS000030008
  • N-(3-Chloro-5-methoxy-phenyl)-3-(4-methyl-piperazin-1-yl)-propionamide
  • SMR000010583

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1256 0.5
Onchocerca volvulus 0.0043 0.1256 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1256 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1256 0.2505
Loa Loa (eye worm) beta-lactamase 0.0043 0.1256 0.2505
Schistosoma mansoni ap endonuclease 0.0023 0.0481 0.3829
Brugia malayi beta-lactamase 0.0043 0.1256 0.2505
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1256 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0481 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.5014 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1256 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1256 0.2505
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.1256 0.0814
Mycobacterium ulcerans lipase LipD 0.0043 0.1256 1
Trichomonas vaginalis esterase, putative 0.0043 0.1256 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1256 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.1256 0.0814
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1256 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0481 0.5
Brugia malayi beta-lactamase family protein 0.0043 0.1256 0.2505
Mycobacterium ulcerans beta-lactamase 0.0043 0.1256 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1256 0.2505
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0481 0.0959
Onchocerca volvulus 0.0043 0.1256 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1256 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.1256 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1256 0.2505
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1256 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1256 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1256 0.2505
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1256 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0481 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0481 0.0959
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0481 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1256 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.1256 0.0814
Mycobacterium ulcerans hypothetical protein 0.0043 0.1256 1
Brugia malayi beta-lactamase family protein 0.0043 0.1256 0.2505
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1256 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.1256 0.0814
Onchocerca volvulus 0.0043 0.1256 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1256 0.2505
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1256 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.1256 0.0814
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.1256 0.0814
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.1256 0.0814
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0481 0.3829
Loa Loa (eye worm) hypothetical protein 0.0043 0.1256 0.2505
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.5014 1
Leishmania major hypothetical protein, conserved 0.0043 0.1256 1
Schistosoma mansoni ap endonuclease 0.0023 0.0481 0.3829
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0481 0.5
Brugia malayi MH2 domain containing protein 0.0144 0.5014 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1256 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0481 0.3829
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1256 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1256 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1256 0.2505
Toxoplasma gondii ABC1 family protein 0.0043 0.1256 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.1256 0.0814
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.1256 0.0814
Mycobacterium tuberculosis Conserved protein 0.0043 0.1256 0.0814

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0316 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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