Detailed information for compound 1489513

Basic information

Technical information
  • TDR Targets ID: 1489513
  • Name: (3-morpholin-4-ylsulfonylphenyl)-[4-[(E)-3-ph enylprop-2-enyl]piperazin-1-yl]methanone
  • MW: 455.57 | Formula: C24H29N3O4S
  • H donors: 0 H acceptors: 3 LogP: 2.11 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc(c1)S(=O)(=O)N1CCOCC1)N1CCN(CC1)C/C=C/c1ccccc1
  • InChi: 1S/C24H29N3O4S/c28-24(22-9-4-10-23(20-22)32(29,30)27-16-18-31-19-17-27)26-14-12-25(13-15-26)11-5-8-21-6-2-1-3-7-21/h1-10,20H,11-19H2/b8-5+
  • InChiKey: BKGFIDOWDRBTJR-VMPITWQZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3-morpholinosulfonylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
  • (3-morpholinosulfonylphenyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methanone
  • T5546995

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus regulator of G protein signaling 7 0.0022 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0022 0.0043 0.0103
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0692 0.1583
Loa Loa (eye worm) hypothetical protein 0.0112 0.2272 0.5486
Loa Loa (eye worm) hypothetical protein 0.0036 0.0388 0.0937
Schistosoma mansoni hypothetical protein 0.0035 0.0366 0.0428
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0022 0.0043 0.0103
Onchocerca volvulus 0.0036 0.0388 0.2054
Echinococcus granulosus axis inhibition protein axin 0.0022 0.0043 0.0043
Echinococcus multilocularis Niemann Pick C1 protein 0.0159 0.346 0.346
Echinococcus granulosus axis inhibition protein axin 0.0022 0.0043 0.0043
Mycobacterium ulcerans hypothetical protein 0.0039 0.0461 1
Brugia malayi A-kinase anchor protein 10, precursor 0.0022 0.0043 0.0103
Loa Loa (eye worm) hypothetical protein 0.0051 0.0765 0.1848
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0039 0.0461 0.0153
Echinococcus multilocularis regulator of G protein signaling 3 0.0022 0.0043 0.0043
Echinococcus multilocularis expressed conserved protein 0.0105 0.2104 0.2104
Brugia malayi CAAX amino terminal protease family protein 0.0187 0.4142 1
Echinococcus granulosus beta-adrenergic receptor kinase 0.0022 0.0043 0.0043
Giardia lamblia Hypothetical protein 0.0187 0.4142 0.5
Schistosoma mansoni hypothetical protein 0.0365 0.8557 1
Onchocerca volvulus 0.009 0.1733 0.9177
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.0893 0.0893
Mycobacterium ulcerans hypothetical protein 0.0039 0.0461 1
Schistosoma mansoni hypothetical protein 0.0046 0.0649 0.0758
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0388 0.0388
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0048 0.0692 0.167
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0057 0.0057
Mycobacterium ulcerans integral membrane protein 0.0039 0.0461 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0096 0.1889 0.2207
Loa Loa (eye worm) hypothetical protein 0.0022 0.0043 0.0103
Brugia malayi Trypsin family protein 0.0096 0.1889 0.456
Echinococcus multilocularis Niemann Pick C1 protein 0.0112 0.2272 0.2272
Toxoplasma gondii CAAX amino terminal protease family protein 0.0039 0.0461 1
Echinococcus granulosus geminin 0.0365 0.8557 0.8557
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.0893 0.0893
Echinococcus multilocularis geminin 0.0365 0.8557 0.8557
Echinococcus granulosus CAAX prenyl protease 2 0.0187 0.4142 0.4142
Schistosoma mansoni hypothetical protein 0.0046 0.0649 0.0758
Echinococcus granulosus regulator of G protein signaling 3 0.0022 0.0043 0.0043
Schistosoma mansoni hypothetical protein 0.0365 0.8557 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0388 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0043 0.005
Brugia malayi Regulator of G protein signaling domain containing protein 0.0022 0.0043 0.0103
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0388 0.5
Loa Loa (eye worm) hypothetical protein 0.0187 0.4142 1
Onchocerca volvulus 0.0036 0.0388 0.2054
Entamoeba histolytica CAAX prenyl protease family 0.0187 0.4142 1
Echinococcus granulosus regulator of G protein signaling 7 0.0022 0.0043 0.0043
Treponema pallidum hypothetical protein 0.0039 0.0461 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0582 0.0582
Echinococcus granulosus Regulator of G protein signaling 20 0.0022 0.0043 0.0043
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0388 0.8421
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0022 0.0043 0.0103
Loa Loa (eye worm) hypothetical protein 0.0036 0.0388 0.0937
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0388 0.0937
Onchocerca volvulus 0.0096 0.1889 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0386 0.0386
Schistosoma mansoni axis inhibition protein axin 0.0022 0.0043 0.005
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0096 0.1889 0.2207
Brugia malayi beta-lactamase family protein 0.0036 0.0388 0.0937
Toxoplasma gondii hypothetical protein 0.0039 0.0461 1
Schistosoma mansoni lipoxygenase 0.0056 0.0893 0.1044
Loa Loa (eye worm) hypothetical protein 0.0036 0.0388 0.0937
Plasmodium falciparum protease, putative 0.0039 0.0461 1
Brugia malayi hypothetical protein 0.0043 0.0582 0.1406
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0765 0.1848
Brugia malayi Niemann-Pick C1 protein precursor 0.0112 0.2272 0.5486
Entamoeba histolytica hypothetical protein 0.0043 0.0582 0.1316
Trypanosoma brucei CAAX amino terminal protease, putative 0.0187 0.4142 1
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0043 0.005
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0022 0.0043 0.0103
Echinococcus multilocularis protein dispatched 1 0.0055 0.086 0.086
Echinococcus multilocularis sterol regulatory element binding protein 0.0048 0.0692 0.0692
Echinococcus multilocularis expressed protein 0.0423 1 1
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0043 0.005
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0582 0.0681
Schistosoma mansoni bromodomain containing protein 0.0063 0.1058 0.1236
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0113 0.2315 0.2705
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.097 0.097
Echinococcus multilocularis regulator of G protein signaling 0.0022 0.0043 0.0043
Echinococcus granulosus Niemann Pick C1 protein 0.0159 0.346 0.346
Brugia malayi Regulator of G protein signaling domain containing protein 0.0022 0.0043 0.0103
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0043 0.005
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.5153 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0043 0.0103
Brugia malayi hypothetical protein 0.0022 0.0043 0.0103
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0043 0.005
Loa Loa (eye worm) hypothetical protein 0.0035 0.0366 0.0884
Entamoeba histolytica hypothetical protein 0.0043 0.0582 0.1316
Schistosoma mansoni hypothetical protein 0.0046 0.0649 0.0758
Entamoeba histolytica hypothetical protein 0.0043 0.0582 0.1316
Echinococcus multilocularis protein patched 0.0048 0.0692 0.0692
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0388 0.0842
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0187 0.4142 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0187 0.4142 0.484
Loa Loa (eye worm) hypothetical protein 0.0036 0.0388 0.0937
Brugia malayi regulator of G-protein signaling rgs-7 0.0022 0.0043 0.0103
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0022 0.0043 0.0103
Echinococcus granulosus sterol regulatory element binding protein 0.0048 0.0692 0.0692
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.0461 0.0153
Loa Loa (eye worm) hypothetical protein 0.0096 0.1889 0.456
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0057 0.0057
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0388 0.0842
Echinococcus multilocularis axis inhibition protein axin 0.0022 0.0043 0.0043
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0765 0.1848
Schistosoma mansoni patched 1 0.0048 0.0692 0.0808
Entamoeba histolytica hypothetical protein 0.0043 0.0582 0.1316
Loa Loa (eye worm) hypothetical protein 0.0042 0.0551 0.1331
Loa Loa (eye worm) hypothetical protein 0.0059 0.0959 0.2316
Echinococcus multilocularis regulator of G protein signaling 7 0.0022 0.0043 0.0043
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0386 0.0386
Entamoeba histolytica CAAX amino terminal protease family 0.0039 0.0461 0.102
Echinococcus multilocularis Regulator of G protein signaling 20 0.0022 0.0043 0.0043
Brugia malayi Bromodomain containing protein 0.0038 0.0444 0.1073
Echinococcus granulosus regulator of G protein signaling 3 0.0022 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0038 0.0446 0.1077
Loa Loa (eye worm) hypothetical protein 0.0022 0.0043 0.0103
Loa Loa (eye worm) hypothetical protein 0.0022 0.0043 0.0103
Brugia malayi Bromodomain containing protein 0.0074 0.1346 0.3249
Schistosoma mansoni hypothetical protein 0.0043 0.0582 0.0681
Brugia malayi hypothetical protein 0.0022 0.0043 0.0103
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0057 0.0067
Schistosoma mansoni hypothetical protein 0.002 0.0011 0.0012
Onchocerca volvulus 0.0036 0.0388 0.2054
Brugia malayi PXA domain containing protein 0.0022 0.0043 0.0103
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0039 0.0461 0.0153
Loa Loa (eye worm) hypothetical protein 0.0048 0.0692 0.167
Echinococcus multilocularis beta adrenergic receptor kinase 0.0022 0.0043 0.0043
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0043 0.005
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0582 0.0582
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0187 0.4142 1
Schistosoma mansoni axis inhibition protein axin 0.0022 0.0043 0.005
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0765 0.1848
Brugia malayi beta-lactamase family protein 0.0036 0.0388 0.0937
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0388 0.0842
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0022 0.0043 0.005
Echinococcus granulosus expressed conserved protein 0.0105 0.2104 0.2104
Brugia malayi beta-lactamase 0.0036 0.0388 0.0937
Loa Loa (eye worm) hypothetical protein 0.0096 0.1889 0.456
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0112 0.2272 0.5439
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0187 0.4142 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0388 0.0937
Loa Loa (eye worm) hypothetical protein 0.0036 0.0388 0.0937
Brugia malayi PHD-finger family protein 0.0025 0.0116 0.0279
Mycobacterium tuberculosis Probable integral membrane protein 0.0039 0.0461 0.0153
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0022 0.0043 0.005
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0187 0.4142 0.484
Trichomonas vaginalis esterase, putative 0.0036 0.0388 0.0842
Toxoplasma gondii hypothetical protein 0.0039 0.0461 1
Schistosoma mansoni hypothetical protein 0.0046 0.0649 0.0758
Echinococcus multilocularis axis inhibition protein axin 0.0022 0.0043 0.0043
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0388 0.0842
Schistosoma mansoni z-protein (S1r protein) 0.0022 0.0043 0.005
Loa Loa (eye worm) hypothetical protein 0.004 0.0504 0.1218
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0022 0.0043 0.0043
Loa Loa (eye worm) RGS-3 protein 0.0022 0.0043 0.0103
Loa Loa (eye worm) PXA domain-containing protein 0.0022 0.0043 0.0103
Brugia malayi CHE-14 protein 0.0048 0.0692 0.167
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0388 0.0388
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0011 0.0025
Loa Loa (eye worm) hypothetical protein 0.0036 0.0388 0.0937
Echinococcus multilocularis CAAX prenyl protease 2 0.0187 0.4142 0.4142
Brugia malayi PXA domain containing protein 0.0022 0.0043 0.0103
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0388 0.0453
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0043 0.005
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0043 0.005
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0388 0.0842
Loa Loa (eye worm) hypothetical protein 0.007 0.1241 0.2996
Brugia malayi regulator of G-protein signaling egl-10 0.0022 0.0043 0.0103
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0366 0.0884
Chlamydia trachomatis hypothetical protein 0.0039 0.0461 0.5
Echinococcus granulosus Protein patched homolog 1 0.0048 0.0692 0.0692
Echinococcus multilocularis regulator of G protein signaling 3 0.0022 0.0043 0.0043
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0022 0.0043 0.0043
Echinococcus granulosus Niemann Pick C1 protein 0.0112 0.2272 0.2272
Entamoeba histolytica CAAX amino terminal protease family 0.0039 0.0461 0.102
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0388 0.0453
Plasmodium vivax protease, putative 0.0039 0.0461 1
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0022 0.0043 0.005
Echinococcus multilocularis regulator of G protein signaling 7 0.0022 0.0043 0.0043
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0187 0.4142 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0043 0.0103
Loa Loa (eye worm) beta-lactamase 0.0036 0.0388 0.0937
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.097 0.097

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 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) 12.9953 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 14.581 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 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) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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