Detailed information for compound 882889

Basic information

Technical information
  • TDR Targets ID: 882889
  • Name: N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluoroph enyl)sulfonylpiperazin-1-yl]acetamide
  • MW: 441.904 | Formula: C19H21ClFN3O4S
  • H donors: 1 H acceptors: 3 LogP: 2.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)F)Cl
  • InChi: 1S/C19H21ClFN3O4S/c1-28-18-7-2-14(20)12-17(18)22-19(25)13-23-8-10-24(11-9-23)29(26,27)16-5-3-15(21)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)
  • InChiKey: UKGLZEBOIXJYGO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(5-chloro-2-methoxy-phenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
  • N-(5-chloro-2-methoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]acetamide
  • N-(5-chloro-2-methoxy-phenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanamide
  • AP-124/43383594
  • N-(5-chloro-2-methoxyphenyl)-2-{4-[(4-fluorophenyl)sulfonyl]-1-piperazinyl}acetamide
  • BAS 12914293
  • T5386362

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
Epstein-Barr virus (strain B95-8) (HHV-4) (Human herpesvirus 4) Epstein-Barr nuclear antigen 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum conserved hypothetical protein 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
Plasmodium yoelii putative AP endonuclease-related 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 congolense apurinic/apyrimidinic endonuclease, putative 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
Toxoplasma gondii exonuclease III APE 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
Brugia malayi exodeoxyribonuclease III family protein 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Leishmania major apurinic/apyrimidinic endonuclease-redox 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
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
Plasmodium falciparum 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
Theileria parva hypothetical protein 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
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
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 glucosylceramidase, putative 0.0945 0.6491 0.6459
Echinococcus granulosus geminin 0.055 0.3692 0.741
Echinococcus multilocularis microtubule associated protein 2 0.0728 0.495 1
Echinococcus granulosus microtubule associated protein 2 0.0728 0.495 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0056 0.0196 0.0513
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0148 0.0057
Leishmania major mitochondrial DNA polymerase beta 0.0329 0.2126 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0046 0.0124 0.0584
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0091 0.043
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0148 0.0116
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0124 0.0161
Trichomonas vaginalis glucosylceramidase, putative 0.0945 0.6491 0.6459
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0627 0.424 1
Trichomonas vaginalis glucosylceramidase, putative 0.1441 1 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0124 0.0161
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0148 0.0116
Trichomonas vaginalis glucosylceramidase, putative 0.0945 0.6491 0.6459
Trichomonas vaginalis glucosylceramidase, putative 0.0996 0.6852 0.6823
Trichomonas vaginalis glucosylceramidase, putative 0.0945 0.6491 0.6459
Schistosoma mansoni hypothetical protein 0.055 0.3692 0.741
Trichomonas vaginalis glucosylceramidase, putative 0.0996 0.6852 0.6823
Trypanosoma brucei DNA polymerase eta, putative 0.0042 0.0091 0.043
Trichomonas vaginalis glucosylceramidase, putative 0.1441 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0091 0.043
Trichomonas vaginalis glucosylceramidase, putative 0.1441 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0042 0.0091 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0091 0.043
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0329 0.2126 1
Trichomonas vaginalis glucosylceramidase, putative 0.1441 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0173 0.1024 0.2247
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0627 0.424 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0148 0.0057
Mycobacterium ulcerans hypothetical protein 0.0173 0.1024 0.2247
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0148 0.0116
Trichomonas vaginalis glucosylceramidase, putative 0.1441 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0156 0.0899 0.3969
Trypanosoma brucei unspecified product 0.0042 0.0091 0.043
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0148 0.0116
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0091 0.043
Schistosoma mansoni hypothetical protein 0.055 0.3692 0.741
Trichomonas vaginalis glucosylceramidase, putative 0.0945 0.6491 0.6459
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0091 0.043
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0329 0.2126 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0091 0.043
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0329 0.2126 1
Onchocerca volvulus Glucosylceramidase homolog 0.0945 0.6491 0.5
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0627 0.424 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0091 0.043
Trichomonas vaginalis glucosylceramidase, putative 0.0945 0.6491 0.6459
Giardia lamblia DINP protein human, muc B family 0.0042 0.0091 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0091 0.043
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0091 0.043
Toxoplasma gondii hypothetical protein 0.0053 0.0172 0.5
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.1441 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0091 0.043
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0156 0.0899 0.4229
Trichomonas vaginalis glucosylceramidase, putative 0.1441 1 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0156 0.0899 0.3969
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0046 0.0124 0.0161
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0091 0.043
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0148 0.0116
Echinococcus multilocularis geminin 0.055 0.3692 0.741
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0627 0.424 0.5
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0627 0.424 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0091 0.043
Trichomonas vaginalis glucosylceramidase, putative 0.0945 0.6491 0.6459
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0148 0.0116
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0091 0.043
Treponema pallidum hypothetical protein 0.0627 0.424 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0148 0.0116
Schistosoma mansoni microtubule-associated protein tau 0.0728 0.495 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 16.413 um PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of the Epstein-Barr virus nuclear antigen 1 (EBNA-1). (Class of assay: confirmatory) [Related pubchem assays: 2292 (Confirmation (EBNA-1 inhibitors in triplicate)), 2328 (Counterscreen (ZTA inhibitors in triplicate)), 1955 (Summary (EBNA-1 inhibitors))] ChEMBL. No reference
IC50 (binding) > 111.248 um PUBCHEM_BIOASSAY: Counterscreen for inhibitors of EBNA-1: fluorescence polarization-based biochemical high throughput dose response assay to identify inhibitors of the Epstein-Barr virus-encoded protein, ZTA. (Class of assay: confirmatory) [Related pubchem assays: 2292 (Confirmation (EBNA-1 inhibitors in triplicate)), 2328 (Counterscreen (ZTA inhibitors in triplicate)), 1955 (Summary (EBNA-1 inhibitors))] ChEMBL. No reference
Potency (functional) 0.0024 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6964 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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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