Detailed information for compound 1469746

Basic information

Technical information
  • TDR Targets ID: 1469746
  • Name: N-[(4-fluorophenyl)methyl]-N-methyl-2-morphol in-4-yl-5-piperidin-1-ylsulfonylbenzamide
  • MW: 475.576 | Formula: C24H30FN3O4S
  • H donors: 0 H acceptors: 3 LogP: 2.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(=O)c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCCCC1)Cc1ccc(cc1)F
  • InChi: 1S/C24H30FN3O4S/c1-26(18-19-5-7-20(25)8-6-19)24(29)22-17-21(33(30,31)28-11-3-2-4-12-28)9-10-23(22)27-13-15-32-16-14-27/h5-10,17H,2-4,11-16,18H2,1H3
  • InChiKey: UXAYKUZNZHCJLU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-fluorophenyl)methyl]-N-methyl-2-morpholino-5-(1-piperidylsulfonyl)benzamide
  • N-(4-fluorobenzyl)-N-methyl-2-morpholino-5-piperidinosulfonyl-benzamide
  • N-[(4-fluorophenyl)methyl]-N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzamide
  • T5377134

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) MBCTL1 0.0113 0.0657 0.0657
Echinococcus multilocularis mitogen activated protein kinase 11 0.038 0.2462 0.9665
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.038 0.2462 1
Schistosoma mansoni sex comb on midleg homolog 0.01 0.0564 0.1413
Schistosoma mansoni hypothetical protein 0.0178 0.1097 0.2749
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.0492 0.0492
Echinococcus multilocularis histone acetyltransferase MYST2 0.0113 0.0657 0.258
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0492 0.1233
Schistosoma mansoni hypothetical protein 0.0035 0.0128 0.0322
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0492 0.193
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.0727 0.0727
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0392 0.2548 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0492 0.1233
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.038 0.2462 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0492 0.193
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.0492 0.1997
Echinococcus multilocularis mitogen activated protein kinase 11 0.038 0.2462 0.9665
Echinococcus granulosus mitogen activated protein kinase 11 0.038 0.2462 0.9665
Loa Loa (eye worm) hypothetical protein 0.0113 0.0657 0.0657
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.038 0.2462 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0312 0.5
Loa Loa (eye worm) hypothetical protein 0.1491 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0492 0.193
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.038 0.2462 0.2462
Toxoplasma gondii hypothetical protein 0.1491 1 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0113 0.0657 0.1647
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0128 0.0522
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0312 0.0782
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.01 0.0564 0.5
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.1491 1 1
Echinococcus multilocularis polycomb protein SCMH1 0.01 0.0564 0.2213
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.0727 0.0727
Schistosoma mansoni hypothetical protein 0.0605 0.399 1
Brugia malayi mbt repeat family protein 0.01 0.0564 0.229
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.01 0.0564 0.1413
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0312 0.1224
Loa Loa (eye worm) hypothetical protein 0.01 0.0564 0.0564
Echinococcus granulosus SAM and MBT domain containing protein 0.01 0.0564 0.2213
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0492 0.1233
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0113 0.0657 0.258
Echinococcus granulosus mitogen activated protein kinase 14 0.038 0.2462 0.9665
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0312 0.1224
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0113 0.0657 0.258
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0113 0.0657 0.2669
Loa Loa (eye worm) hypothetical protein 0.0035 0.0128 0.0128
Echinococcus multilocularis mitogen activated protein kinase 14 0.038 0.2462 0.9665
Brugia malayi MH2 domain containing protein 0.0124 0.0727 0.2952
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0239 0.0971
Echinococcus multilocularis mitogen activated protein kinase 14 0.038 0.2462 0.9665
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0312 0.5
Schistosoma mansoni sex comb on midleg homolog 0.01 0.0564 0.1413
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0312 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0312 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0392 0.2548 1
Brugia malayi mbt repeat family protein 0.01 0.0564 0.229
Loa Loa (eye worm) hypothetical protein 0.1491 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0312 0.0782
Echinococcus multilocularis SAM and MBT domain containing protein 0.01 0.0564 0.2213
Echinococcus granulosus histone acetyltransferase MYST2 0.0113 0.0657 0.258
Echinococcus granulosus geminin 0.0178 0.1097 0.4305
Schistosoma mansoni hypothetical protein 0.0178 0.1097 0.2749
Onchocerca volvulus 0.01 0.0564 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0492 0.193
Loa Loa (eye worm) hypothetical protein 0.0052 0.0239 0.0239
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0239 0.0971
Echinococcus granulosus polycomb protein SCMH1 0.01 0.0564 0.2213
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.038 0.2462 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0239 0.0239
Brugia malayi P38 map kinase family protein 2 0.038 0.2462 1
Echinococcus multilocularis geminin 0.0178 0.1097 0.4305
Loa Loa (eye worm) mbt repeat family protein 0.01 0.0564 0.0564

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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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