Detailed information for compound 865931

Basic information

Technical information
  • TDR Targets ID: 865931
  • Name: N-[(1-methylpiperidin-4-ylidene)amino]-2-[met hylsulfonyl-[4-(phenoxy)phenyl]amino]acetamid e
  • MW: 430.521 | Formula: C21H26N4O4S
  • H donors: 1 H acceptors: 3 LogP: 1.91 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC(=NNC(=O)CN(S(=O)(=O)C)c2ccc(cc2)Oc2ccccc2)CC1
  • InChi: 1S/C21H26N4O4S/c1-24-14-12-17(13-15-24)22-23-21(26)16-25(30(2,27)28)18-8-10-20(11-9-18)29-19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3,(H,23,26)
  • InChiKey: ZGHMHNMWFKCOKL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(1-methyl-4-piperidylidene)amino]-2-[methylsulfonyl-[4-(phenoxy)phenyl]amino]acetamide
  • N-[(1-methyl-4-piperidinylidene)amino]-2-[methylsulfonyl-[4-(phenoxy)phenyl]amino]acetamide
  • 2-[mesyl-[4-(phenoxy)phenyl]amino]-N-[(1-methyl-4-piperidylidene)amino]acetamide
  • N-[(1-methylpiperidin-4-ylidene)amino]-2-[methylsulfonyl-[4-(phenoxy)phenyl]amino]ethanamide
  • N-{2-[2-(1-methyl-4-piperidinylidene)hydrazino]-2-oxoethyl}-N-(4-phenoxyphenyl)methanesulfonamide
  • SMR000230694
  • MLS000698965

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Onchocerca volvulus 0.0242 0.1234 1
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0006 0.0006
Onchocerca volvulus 0.0075 0.0269 0.214
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.003 0.0008 0.0002
Loa Loa (eye worm) solute carrier family 6 member 4 0.0242 0.1234 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0041 0.0071 0.0528
Echinococcus granulosus hyperpolarization activated cyclic 0.003 0.0008 0.0008
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0129 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0242 0.1234 0.1488
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0147 0.0683 0.0677
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.0089 0.01
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.003 0.0008 0.0008
Schistosoma mansoni lipoxygenase 0.0118 0.0517 0.0618
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0147 0.0683 0.0677
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.003 0.0008 0.0002
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0142 0.0658 0.5426
Schistosoma mansoni lipoxygenase 0.0082 0.0311 0.0369
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0376 0.2012 1
Trypanosoma cruzi extracellular receptor, putative 0.0075 0.0269 1
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0129 0.0148
Schistosoma mansoni tyrosine kinase 0.0075 0.0269 0.0318
Loa Loa (eye worm) hypothetical protein 0.0041 0.0071 0.0528
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0242 0.1234 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0142 0.0658 0.5426
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0222 0.1119 0.1119
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0222 0.1119 0.1113
Loa Loa (eye worm) serotonin transporter b 0.0242 0.1234 1
Echinococcus multilocularis nmda type glutamate receptor 0.1756 1 1
Onchocerca volvulus 0.0041 0.0071 0.0528
Echinococcus multilocularis hyperpolarization activated cyclic 0.003 0.0008 0.0002
Echinococcus granulosus glutamate receptor 2 0.0222 0.1119 0.1119
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0222 0.1119 0.1119
Schistosoma mansoni sodium/chloride dependent transporter 0.0242 0.1234 0.1488
Plasmodium falciparum amino acid transporter, putative 0.0041 0.0071 0.5
Echinococcus multilocularis receptor type guanylyl cyclase 0.0075 0.0269 0.0263
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0041 0.0071 0.0528
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.003 0.0008 0.0002
Loa Loa (eye worm) RGC/RGC protein kinase 0.0075 0.0269 0.214
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0.0071 0.5304
Entamoeba histolytica hypothetical protein 0.0075 0.0269 0.5
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0044 0.0089 0.0674
Echinococcus granulosus glutamate receptor subunit protein glur 0.0147 0.0683 0.0683
Onchocerca volvulus 0.0041 0.0071 0.0528
Loa Loa (eye worm) hypothetical protein 0.0075 0.0269 0.214
Loa Loa (eye worm) glutamate receptor 0.0075 0.0269 0.214
Echinococcus granulosus metabotropic glutamate receptor 2 0.0075 0.0269 0.0269
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0041 0.0071 0.0079
Brugia malayi Receptor family ligand binding region containing protein 0.0075 0.0269 0.214
Echinococcus multilocularis sodium and chloride dependent glycine 0.0041 0.0071 0.0065
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0075 0.0269 0.0263
Schistosoma mansoni hypothetical protein 0.0147 0.0683 0.082
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0152 0.0716 0.071
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0147 0.0683 0.0677
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.003 0.0008 0.0002
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.1039 0.8411
Echinococcus granulosus metabotropic glutamate receptor 5 0.0075 0.0269 0.0269
Loa Loa (eye worm) hypothetical protein 0.0041 0.0071 0.0528
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.003 0.0008 0.0002
Brugia malayi Cytochrome P450 family protein 0.0052 0.0136 0.106
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0222 0.1119 0.1119
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0041 0.0071 0.0065
Loa Loa (eye worm) glutamate receptor 1 0.0147 0.0683 0.5514
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0041 0.0071 0.0079
Loa Loa (eye worm) hypothetical protein 0.003 0.0008 0.0014
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0075 0.0269 0.0263
Echinococcus granulosus tyrosine kinase 0.0075 0.0269 0.0269
Trichomonas vaginalis set domain proteins, putative 0.0237 0.1206 1
Echinococcus multilocularis glutamate receptor 2 0.0147 0.0683 0.0677
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0044 0.0089 0.0083
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.003 0.0008 0.0002
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0041 0.0071 0.0079
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0075 0.0269 0.0263
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0129 0.0129
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0147 0.0683 0.0683
Loa Loa (eye worm) hypothetical protein 0.0041 0.0071 0.0528
Loa Loa (eye worm) hypothetical protein 0.0075 0.0269 0.214
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0041 0.0071 0.0079
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0041 0.0071 0.0065
Trypanosoma brucei protein kinase, putative 0.0051 0.0129 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0129 0.0129
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0222 0.1119 0.1113
Echinococcus multilocularis glutamate receptor 2 0.0222 0.1119 0.1113
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0222 0.1119 0.1113
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.003 0.0008 0.0014
Echinococcus multilocularis hyperpolarization activated cyclic 0.003 0.0008 0.0002
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0041 0.0071 0.0528
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0129 0.1007
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0.0071 0.5304
Echinococcus multilocularis NMDA receptor 0.0147 0.0683 0.0677
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0376 0.2012 0.5
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0075 0.0269 0.214
Echinococcus multilocularis nmda type glutamate receptor 0.1308 0.7407 0.7406
Schistosoma mansoni voltage-gated potassium channel 0.0166 0.0797 0.0958
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0075 0.0269 0.214
Loa Loa (eye worm) hypothetical protein 0.0075 0.0269 0.214
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0147 0.0683 0.0683
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.0129 0.5
Brugia malayi Glutamate receptor 1 precursor 0.0147 0.0683 0.5514
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.0136 0.106
Schistosoma mansoni glutamate receptor NMDA 0.0147 0.0683 0.082
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0129 0.0996
Loa Loa (eye worm) hypothetical protein 0.0075 0.0269 0.214
Echinococcus multilocularis voltage gated potassium channel 0.0044 0.0089 0.0083
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0075 0.0269 0.214
Echinococcus granulosus atrial natriuretic peptide receptor 0.0075 0.0269 0.0269
Loa Loa (eye worm) hypothetical protein 0.0075 0.0269 0.214
Echinococcus granulosus glutamate receptor NMDA 0.1233 0.6972 0.6972
Onchocerca volvulus 0.0075 0.0269 0.214
Echinococcus granulosus glutamate NMDA receptor subunit 0.0147 0.0683 0.0683
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0041 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0075 0.0269 0.214
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0129 0.1007
Schistosoma mansoni tyrosine kinase 0.0075 0.0269 0.0318
Loa Loa (eye worm) hypothetical protein 0.0075 0.0269 0.214
Echinococcus multilocularis tyrosine kinase 0.0075 0.0269 0.0263
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0147 0.0683 0.0677
Brugia malayi Guanylyl cyclase protein 23 0.0075 0.0269 0.214
Loa Loa (eye worm) hypothetical protein 0.0041 0.0071 0.0528
Schistosoma mansoni glutamate receptor AMPA 0.0147 0.0683 0.082
Brugia malayi Receptor family ligand binding region containing protein 0.0075 0.0269 0.214
Schistosoma mansoni sodium-dependent amino acid transporter 0.0041 0.0071 0.0079
Schistosoma mansoni sodium/chloride dependent transporter 0.0042 0.0074 0.0082
Plasmodium vivax amine transporter, putative 0.0041 0.0071 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0041 0.0071 0.0528
Schistosoma mansoni glutamate receptor kainate 0.0147 0.0683 0.082
Leishmania major extracellular receptor, putative 0.0075 0.0269 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0041 0.0071 0.0065
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0376 0.2012 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0152 0.0716 0.5779
Loa Loa (eye worm) RGC/RGC protein kinase 0.0075 0.0269 0.214
Loa Loa (eye worm) norepinephrine transporter 0.0242 0.1234 1
Brugia malayi hypothetical protein 0.0075 0.0269 0.214
Loa Loa (eye worm) hypothetical protein 0.0242 0.1234 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0118 0.0517 0.0511
Schistosoma mansoni metabotropic glutamate receptor 0.0075 0.0269 0.0318
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0152 0.0716 0.5779
Loa Loa (eye worm) hypothetical protein 0.0132 0.0599 0.483
Loa Loa (eye worm) hypothetical protein 0.0041 0.0071 0.0528
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0041 0.0071 0.0065
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0376 0.2012 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0269 0.214
Echinococcus granulosus cyclic nucleotide gated cation channel 0.003 0.0008 0.0008
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0129 0.1007
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0129 0.0122
Plasmodium falciparum transporter, putative 0.0041 0.0071 0.5
Schistosoma mansoni glutamate receptor kainate 0.0147 0.0683 0.082
Echinococcus granulosus nmda type glutamate receptor 0.1308 0.7407 0.7407
Loa Loa (eye worm) hypothetical protein 0.0242 0.1234 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.003 0.0008 0.0002
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0041 0.0071 0.0079
Schistosoma mansoni ATP-binding cassette transporter 0.0147 0.0683 0.082
Echinococcus granulosus voltage gated potassium channel 0.0044 0.0089 0.0089
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0041 0.0071 0.0528
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0222 0.1119 0.1113
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0041 0.0071 0.0079
Schistosoma mansoni glutamate receptor NMDA 0.1455 0.8257 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0089 0.0674
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0.0071 0.5304
Schistosoma mansoni protein kinase 0.0075 0.0269 0.0318
Chlamydia trachomatis glutamine binding protein 0.0376 0.2012 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0041 0.0071 0.0071
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0129 0.1007
Brugia malayi MAP kinase sur-1 0.0051 0.0129 0.0996
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0147 0.0683 0.0683
Echinococcus multilocularis glutamate receptor 2 0.0075 0.0269 0.0263
Onchocerca volvulus 0.0041 0.0071 0.0528
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0523 0.2862 0.2857
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0376 0.2012 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.003 0.0008 0.0008
Schistosoma mansoni voltage-gated potassium channel 0.003 0.0008 0.0002
Toxoplasma gondii hypothetical protein 0.0041 0.0071 0.5304
Schistosoma mansoni voltage-gated potassium channel 0.0166 0.0797 0.0958
Loa Loa (eye worm) hypothetical protein 0.0242 0.1234 1
Schistosoma mansoni glutamate receptor kainate 0.0147 0.0683 0.082
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0075 0.0269 0.214
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.003 0.0008 0.0002
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0129 0.0122
Onchocerca volvulus 0.0237 0.1206 0.9768
Echinococcus granulosus glutamate receptor 2 0.0075 0.0269 0.0269
Brugia malayi Metabotropic glutamate receptor precursor. 0.0075 0.0269 0.214
Echinococcus granulosus serotonin transporter 0.0242 0.1234 0.1234
Brugia malayi hypothetical protein 0.0041 0.0071 0.0528
Loa Loa (eye worm) RGC/RGC protein kinase 0.0075 0.0269 0.214
Brugia malayi metabotropic glutamate receptor type 2 0.0075 0.0269 0.214
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0041 0.0071 0.0079
Brugia malayi Pre-SET motif family protein 0.0208 0.1039 0.8411
Schistosoma mansoni glutamate receptor AMPA 0.0147 0.0683 0.082
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0041 0.0071 0.0071
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0118 0.0517 0.0517
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0044 0.0089 0.0089
Echinococcus multilocularis serotonin transporter 0.0242 0.1234 0.1228
Toxoplasma gondii hypothetical protein 0.0041 0.0071 0.5304
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0041 0.0071 0.0528
Loa Loa (eye worm) hypothetical protein 0.0041 0.0071 0.0528
Echinococcus granulosus receptor type guanylyl cyclase 0.0075 0.0269 0.0269
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.003 0.0008 0.0008
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.003 0.0008 0.0014
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0152 0.0716 0.0716
Echinococcus granulosus hyperpolarization activated cyclic 0.003 0.0008 0.0008
Echinococcus granulosus sodium and chloride dependent glycine 0.0041 0.0071 0.0071
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0041 0.0071 0.0079
Schistosoma mansoni metabotropic glutamate receptor 0.0075 0.0269 0.0318
Echinococcus granulosus sodium and chloride dependent glycine 0.0041 0.0071 0.0071
Brugia malayi Cyclic-nucleotide gated cation channel 0.003 0.0008 0.0014
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.0089 0.01
Brugia malayi Glutamate receptor 2 precursor 0.0147 0.0683 0.5514
Loa Loa (eye worm) hypothetical protein 0.0075 0.0269 0.214
Loa Loa (eye worm) glutamate receptor 2 0.0147 0.0683 0.5514
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0071 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0041 0.0071 0.0071
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0075 0.0269 0.214
Loa Loa (eye worm) hypothetical protein 0.0041 0.0071 0.0528
Schistosoma mansoni sodium/chloride dependent transporter 0.0041 0.0071 0.0079
Echinococcus multilocularis glutamate receptor NMDA 0.1233 0.6972 0.697
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0222 0.1119 0.1119
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.0129 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.