Detailed information for compound 1368323

Basic information

Technical information
  • TDR Targets ID: 1368323
  • Name: N-(3-morpholin-4-ylpropyl)-2-[(2,3,5,6-tetram ethylphenyl)sulfonylamino]benzamide
  • MW: 459.602 | Formula: C24H33N3O4S
  • H donors: 2 H acceptors: 3 LogP: 3.75 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1NS(=O)(=O)c1c(C)c(C)cc(c1C)C)NCCCN1CCOCC1
  • InChi: 1S/C24H33N3O4S/c1-17-16-18(2)20(4)23(19(17)3)32(29,30)26-22-9-6-5-8-21(22)24(28)25-10-7-11-27-12-14-31-15-13-27/h5-6,8-9,16,26H,7,10-15H2,1-4H3,(H,25,28)
  • InChiKey: IRIKGZKNZSOKDY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-morpholinopropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
  • T0505-9427
  • MLS000774836
  • SMR000365471

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma mansoni microtubule-associated protein tau 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.0987 0.2536
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.8271 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0015 0.3053
Schistosoma mansoni cytochrome P450 0.0021 0.0002 0.0002
Echinococcus multilocularis 0.0021 0.0002 0.0005
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0025 0.0025
Loa Loa (eye worm) cytochrome P450 0.0021 0.0002 0.0386
Brugia malayi Zinc finger, C2H2 type family protein 0.323 0.3891 0.3891
Brugia malayi cytochrome P450 0.0021 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0041 0.0027 0.0027
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.0654 0.168
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0025 0.0025
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.8271 1 0.5
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.8271 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0021 0.0021
Brugia malayi Cytochrome P450 family protein 0.0058 0.0047 0.0047
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.005 0.005
Plasmodium falciparum dihydroorotate dehydrogenase 0.8271 1 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.0012 0.001
Loa Loa (eye worm) hypothetical protein 0.006 0.005 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0029 0.0012 0.001
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.323 0.3891 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0058 0.0047 0.9369
Echinococcus granulosus neuropeptide s receptor 0.0558 0.0654 0.168
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.323 0.3891 1
Echinococcus granulosus cytochrome P450 2K1 0.0021 0.0002 0.0005
Brugia malayi Cytochrome P450 family protein 0.0021 0.0002 0.0002
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0021 0.4222
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.323 0.3891 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.323 0.3891 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.0654 0.168
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.323 0.3891 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0012 0.2448
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.323 0.3891 1
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.8271 1 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.0987 0.0987
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.8271 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.323 0.3891 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.8271 1 1
Brugia malayi Cytochrome P450 family protein 0.0029 0.0012 0.0012
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.8271 1 1
Trypanosoma brucei cytochrome P450, putative 0.0029 0.0012 0.001
Leishmania major cytochrome p450-like protein 0.0029 0.0012 0.001
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0021 0.0054
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.8271 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0027 0.5371
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.323 0.3891 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.323 0.3891 1
Leishmania major dihydroorotate dehydrogenase 0.8271 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.0012 0.001
Brugia malayi Cytochrome P450 family protein 0.0029 0.0012 0.0012
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.005 1
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.8271 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.8271 1 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.8271 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.0654 0.168
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0027 0.0027
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.005 0.005
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.323 0.3891 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.8271 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.323 0.3891 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.323 0.3891 0.389
Schistosoma mansoni hypothetical protein 0.0021 0.0002 0.0002
Loa Loa (eye worm) CYP4Cod1 0.0029 0.0012 0.2448
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0012 0.2448
Echinococcus granulosus microtubule associated protein 2 0.0833 0.0987 0.2536
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0021 0.0054

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (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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