Detailed information for compound 873297

Basic information

Technical information
  • TDR Targets ID: 873297
  • Name: N-(3-chlorophenyl)-2-(methyl-(6,7,8,9-tetrahy dro-5H-carbazol-3-ylsulfonyl)amino)acetamide
  • MW: 431.936 | Formula: C21H22ClN3O3S
  • H donors: 2 H acceptors: 3 LogP: 3.96 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)c1ccc2c(c1)c1CCCCc1[nH]2)C)Nc1cccc(c1)Cl
  • InChi: 1S/C21H22ClN3O3S/c1-25(13-21(26)23-15-6-4-5-14(22)11-15)29(27,28)16-9-10-20-18(12-16)17-7-2-3-8-19(17)24-20/h4-6,9-12,24H,2-3,7-8,13H2,1H3,(H,23,26)
  • InChiKey: RTPRJIBXELWHDF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-chlorophenyl)-2-(methyl-(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino)ethanamide
  • E667-2078
  • NCGC00124345-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 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 microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0302 0.1122
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0064 0.0237
Echinococcus granulosus tumor protein p63 0.0408 0.4652 0.4666
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0064 0.0064
Plasmodium vivax SET domain protein, putative 0.0036 0 0.5
Onchocerca volvulus 0.006 0.0296 0.0947
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2692 1
Schistosoma mansoni hypothetical protein 0.0053 0.0211 0.0212
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0302 0.1122
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.997 1
Echinococcus granulosus geminin 0.0173 0.1719 0.1724
Loa Loa (eye worm) hypothetical protein 0.0041 0.0064 0.0237
Brugia malayi Pre-SET motif family protein 0.0251 0.2692 1
Echinococcus multilocularis tumor protein p63 0.0408 0.4652 0.4666
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.997 1
Schistosoma mansoni hypothetical protein 0.0173 0.1719 0.1724
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0836 1 0.5
Schistosoma mansoni hypothetical protein 0.0173 0.1719 0.1724
Echinococcus multilocularis geminin 0.0173 0.1719 0.1724
Loa Loa (eye worm) hypothetical protein 0.006 0.0296 0.11
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0296 0.0297
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3126 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0302 0.1122
Echinococcus granulosus microtubule associated protein 2 0.0833 0.997 1
Onchocerca volvulus 0.0286 0.3126 1
Mycobacterium ulcerans proteasome PrcA 0.0836 1 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0302 0.1122

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 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
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 35.4813 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 for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.