Detailed information for compound 1407803

Basic information

Technical information
  • TDR Targets ID: 1407803
  • Name: N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsu lfonylbenzamide
  • MW: 429.532 | Formula: C22H27N3O4S
  • H donors: 1 H acceptors: 3 LogP: 2.5 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)S(=O)(=O)N1CCCCC1)Nc1ccc(cc1)N1CCOCC1
  • InChi: 1S/C22H27N3O4S/c26-22(23-19-6-8-20(9-7-19)24-14-16-29-17-15-24)18-4-10-21(11-5-18)30(27,28)25-12-2-1-3-13-25/h4-11H,1-3,12-17H2,(H,23,26)
  • InChiKey: JYWLFTULLFWSDT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-morpholinophenyl)-4-(1-piperidylsulfonyl)benzamide
  • N-(4-morpholinophenyl)-4-piperidinosulfonyl-benzamide
  • N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonyl-benzamide
  • Oprea1_003889
  • BAS 01259232
  • N-(4-Morpholin-4-yl-phenyl)-4-(piperidine-1-sulfonyl)-benzamide
  • MLS000107555
  • SMR000111921
  • Oprea1_241850
  • ZINC00854328

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 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, putative,map kinase, putative 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
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative 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 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative 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 multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative 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
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 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
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 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
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Serine/threonine protein kinase of MAP kinase family 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
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Mitogen-activated protein kinase 3, 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
Candida albicans MAP kinase-like orf 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
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 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
Trypanosoma brucei protein kinase, 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
Giardia lamblia Kinase, CMGC MAPK 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica P-glycoprotein-2 0.0021 0.0027 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0021 0.0027 0.0005
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1128 0.1104
Entamoeba histolytica P-glyco protein 6, putative 0.0021 0.0027 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.088 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.088 1
Schistosoma mansoni dopamine-beta-monooxygenase 0.0263 0.5118 0.5105
Echinococcus granulosus multidrug resistance protein 1 0.0021 0.0027 0.0005
Leishmania major hypothetical protein, conserved 0.003 0.0227 0.1817
Trypanosoma brucei protein kinase, putative 0.0062 0.088 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0021 0.0027 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.088 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0021 0.0027 0.0005
Loa Loa (eye worm) hypothetical protein 0.0021 0.0027 0.0005
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.088 0.086
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1128 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0134 0.2394 0.2394
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.088 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0021 0.0027 0.0005
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.088 0.0856
Loa Loa (eye worm) hypothetical protein 0.003 0.0227 0.0205
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.088 0.775
Echinococcus granulosus multidrug resistance protein 1 0.0021 0.0027 0.0005
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0227 1
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.088 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1128 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0027 0.0005
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0227 0.1817
Entamoeba histolytica P-glycoprotein-2, putative 0.0021 0.0027 0.5
Entamoeba histolytica P-glycoprotein-1 0.0021 0.0027 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0021 0.0027 0.0005
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.088 0.086
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0021 0.0027 0.0005
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1128 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.088 1
Echinococcus multilocularis multidrug resistance protein 1 0.0021 0.0027 0.0005
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0021 0.0027 0.0005
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1128 1
Echinococcus multilocularis multidrug resistance protein 1 0.0021 0.0027 0.0005
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.088 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1128 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0227 1
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.088 0.086
Entamoeba histolytica P-glycoprotein 5, putative 0.0021 0.0027 0.5
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0021 0.0027 0.0005
Loa Loa (eye worm) hypothetical protein 0.0263 0.5118 0.5107
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.013 0.2311 0.2311
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.088 0.086
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0263 0.5118 0.5118
Onchocerca volvulus 0.0021 0.0027 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.088 1
Loa Loa (eye worm) multidrug resistance protein 3 0.0021 0.0027 0.0005
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0021 0.0027 0.0005
Schistosoma mansoni peptidylglycine monooxygenase 0.0263 0.5118 0.5105
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1128 0.1104
Brugia malayi MAP kinase sur-1 0.0062 0.088 0.088
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0021 0.0027 0.0005
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1128 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.088 0.775
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0227 1
Entamoeba histolytica P-glycoprotein-2 0.0021 0.0027 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1128 0.1108
Brugia malayi hypothetical protein 0.003 0.0227 0.0227
Echinococcus granulosus multidrug resistance protein 1 0.0021 0.0027 0.0005
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.088 0.086
Brugia malayi ABC transporter family protein 0.0021 0.0027 0.0027
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1128 0.1108
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.088 0.775
Entamoeba histolytica P-glycoprotein-5 0.0021 0.0027 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0021 0.0027 0.0005
Brugia malayi multidrug resistance protein 3 0.0021 0.0027 0.0027
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.088 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.088 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1122 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 3.9811 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) 9.285 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) 10 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) 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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