Detailed information for compound 1471822

Basic information

Technical information
  • TDR Targets ID: 1471822
  • Name: N-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo butyl]thiophene-2-sulfonamide
  • MW: 411.514 | Formula: C18H22FN3O3S2
  • H donors: 1 H acceptors: 3 LogP: 2.38 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)N1CCN(CC1)C(=O)CCCNS(=O)(=O)c1cccs1
  • InChi: 1S/C18H22FN3O3S2/c19-15-5-7-16(8-6-15)21-10-12-22(13-11-21)17(23)3-1-9-20-27(24,25)18-4-2-14-26-18/h2,4-8,14,20H,1,3,9-13H2
  • InChiKey: HWPVFJGEFJJFSR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-butyl]thiophene-2-sulfonamide
  • N-[4-[4-(4-fluorophenyl)-1-piperazinyl]-4-oxobutyl]-2-thiophenesulfonamide
  • N-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-keto-butyl]thiophene-2-sulfonamide
  • MLS000086471
  • N-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}thiophene-2-sulfonamide
  • SMR000022366

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0128 0.1406 0.333
Echinococcus granulosus Zinc finger RanBP2 type 0.0128 0.1406 0.1406
Onchocerca volvulus 0.0128 0.1406 0.333
Toxoplasma gondii ran binding protein 0.0128 0.1406 0.2224
Loa Loa (eye worm) hypothetical protein 0.0128 0.1406 0.333
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0128 0.1406 0.333
Trypanosoma brucei hypothetical protein, conserved 0.0128 0.1406 1
Onchocerca volvulus 0.0033 0.0248 0.0587
Schistosoma mansoni fusion 0.0128 0.1406 0.1406
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0128 0.1406 0.1406
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0248 0.0587
Echinococcus granulosus lamin dm0 0.0033 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0084
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0043 0.0043
Schistosoma mansoni lamin 0.0033 0.0248 0.0248
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0601 0.0601
Plasmodium vivax hypothetical protein, conserved 0.0359 0.4223 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0601 0.0601
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0128 0.1406 0.333
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0128 0.1406 0.1406
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0128 0.1406 0.333
Trypanosoma brucei hypothetical protein, conserved 0.0128 0.1406 1
Onchocerca volvulus 0.0128 0.1406 0.333
Schistosoma mansoni hypothetical protein 0.0128 0.1406 0.1406
Echinococcus granulosus zinc finger protein Ran binding 0.0128 0.1406 0.1406
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0601 0.0601
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0128 0.1406 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0359 0.4223 1
Echinococcus multilocularis lamin dm0 0.0033 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0084
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0248 0.0587
Onchocerca volvulus 0.0033 0.0248 0.0587
Loa Loa (eye worm) hypothetical protein 0.0128 0.1406 0.333
Brugia malayi intermediate filament protein 0.0033 0.0248 0.0587
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0601 0.5
Schistosoma mansoni zinc finger protein 0.0128 0.1406 0.1406
Echinococcus granulosus intermediate filament protein 0.0033 0.0248 0.0248
Trypanosoma cruzi WLM domain containing protein, putative 0.0128 0.1406 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0359 0.4223 0.4223
Trichomonas vaginalis conserved hypothetical protein 0.0359 0.4223 1
Echinococcus granulosus SWI:SNF matrix associated 0.0359 0.4223 0.4223
Loa Loa (eye worm) hypothetical protein 0.0032 0.0241 0.057
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0128 0.1406 0.1406
Echinococcus multilocularis SWI:SNF matrix associated 0.0359 0.4223 0.4223
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0248 0.0587
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0128 0.1406 0.2224
Loa Loa (eye worm) hypothetical protein 0.0016 0.0043 0.0101
Trypanosoma cruzi hypothetical protein, conserved 0.0128 0.1406 1
Brugia malayi MAP kinase sur-1 0.0062 0.0601 0.1423
Echinococcus multilocularis zinc finger protein Ran binding 0.0128 0.1406 0.1406
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0359 0.4223 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0359 0.4223 0.4223
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0128 0.1406 1
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0601 0.0601
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0064 0.0151
Brugia malayi SWIB/MDM2 domain containing protein 0.0359 0.4223 1
Leishmania major hypothetical protein, conserved 0.0128 0.1406 1
Schistosoma mansoni RNA binding protein 0.0128 0.1406 0.1406
Leishmania major hypothetical protein, conserved 0.0128 0.1406 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.1406 0.333
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0359 0.4223 0.4223
Schistosoma mansoni hypothetical protein 0.0359 0.4223 0.4223
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0601 0.0601
Leishmania major hypothetical protein, conserved 0.0128 0.1406 1
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0128 0.1406 0.333
Leishmania major hypothetical protein, conserved 0.0128 0.1406 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0359 0.4223 0.4223
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0359 0.4223 1
Chlamydia trachomatis SWIB complex protein 0.0359 0.4223 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0359 0.4223 1
Echinococcus granulosus ring and YY1 binding protein 0.0128 0.1406 0.1406
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0359 0.4223 1
Schistosoma mansoni TRABID protein (C64 family) 0.0128 0.1406 0.1406
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0128 0.1406 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0128 0.1406 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0043 0.0043
Chlamydia trachomatis DNA topoisomerase I 0.0359 0.4223 0.5
Schistosoma mansoni hypothetical protein 0.0359 0.4223 0.4223
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0128 0.1406 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.0248 0.0248
Schistosoma mansoni brg-1 associated factor 0.0359 0.4223 0.4223
Echinococcus multilocularis musashi 0.0033 0.0248 0.0248
Onchocerca volvulus 0.0359 0.4223 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0128 0.1406 1
Brugia malayi brahma associated protein 60 kDa 0.0359 0.4223 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0128 0.1406 0.333
Brugia malayi brahma associated protein 60 kDa 0.0359 0.4223 1
Echinococcus multilocularis lamin 0.0033 0.0248 0.0248
Schistosoma mansoni hypothetical protein 0.0359 0.4223 0.4223
Echinococcus multilocularis ring and YY1 binding protein 0.0128 0.1406 0.1406
Leishmania major hypothetical protein, conserved 0.0128 0.1406 1
Trypanosoma cruzi hypothetical protein, conserved 0.0128 0.1406 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0601 0.1423
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0128 0.1406 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0359 0.4223 0.5
Onchocerca volvulus 0.0128 0.1406 0.333
Trypanosoma cruzi hypothetical protein, conserved 0.0128 0.1406 1
Echinococcus granulosus lamin 0.0033 0.0248 0.0248
Brugia malayi YY1-associated factor 2 0.0128 0.1406 0.333
Schistosoma mansoni lamin 0.0033 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.0128 0.1406 0.333
Trypanosoma cruzi WLM domain containing protein, putative 0.0128 0.1406 1
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0064 0.0151
Loa Loa (eye worm) hypothetical protein 0.0128 0.1406 0.333
Loa Loa (eye worm) hypothetical protein 0.0033 0.0248 0.0587
Loa Loa (eye worm) brahma associated protein 0.0359 0.4223 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8275 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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
Potency (functional) 112.2018 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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