Detailed information for compound 1329214

Basic information

Technical information
  • TDR Targets ID: 1329214
  • Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamo ylphenyl)acetamide
  • MW: 345.416 | Formula: C17H19N3O3S
  • H donors: 2 H acceptors: 3 LogP: 1.9 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1CCCc2c1cccc2)Nc1cccc(c1)S(=O)(=O)N
  • InChi: 1S/C17H19N3O3S/c18-24(22,23)15-8-3-7-14(11-15)19-17(21)12-20-10-4-6-13-5-1-2-9-16(13)20/h1-3,5,7-9,11H,4,6,10,12H2,(H,19,21)(H2,18,22,23)
  • InChiKey: UQZBHMCKWKZTQV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)ethanamide
  • ZINC06867226
  • SMR000371312
  • T5253651
  • MLS000776307

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
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
Schistosoma mansoni hypothetical protein 0.0049 0.0319 0.0526
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0048 0.0201 0.0333
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0369 0.061
Loa Loa (eye worm) hypothetical protein 0.0053 0.0615 0.0942
Brugia malayi hypothetical protein 0.0046 0.0082 0.0125
Echinococcus multilocularis expressed conserved protein 0.0112 0.5331 0.5292
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.6528 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0615 0.0942
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0369 0.029
Loa Loa (eye worm) hypothetical protein 0.0065 0.1571 0.2406
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0466 0.0388
Echinococcus granulosus disintegrin and metalloproteinase 0.0097 0.4181 0.4133
Brugia malayi Disintegrin family protein 0.0097 0.4181 0.6404
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0369 0.061
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0615 0.0942
Echinococcus multilocularis Niemann Pick C1 protein 0.017 1 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0466 0.0714
Echinococcus multilocularis disintegrin and metalloproteinase 0.0097 0.4181 0.4133
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.5909 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0466 0.0714
Onchocerca volvulus Matrilysin homolog 0.01 0.4415 1
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0046 0.0082 0.0135
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0369 0.029
Schistosoma mansoni patched 1 0.0051 0.0466 0.077
Schistosoma mansoni hypothetical protein 0.0064 0.1515 0.2501
Schistosoma mansoni hypothetical protein 0.0049 0.0319 0.0526
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0055 0.079 0.5
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.5909 0.5875
Echinococcus granulosus expressed conserved protein 0.0112 0.5331 0.5292
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0065 0.1571 0.1501
Echinococcus multilocularis protein dispatched 1 0.0058 0.1044 0.097
Brugia malayi Matrixin family protein 0.0109 0.514 0.7873
Onchocerca volvulus 0.0064 0.1515 0.3431
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0466 0.5
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.5909 0.9051
Loa Loa (eye worm) matrixin family protein 0.0109 0.514 0.7873
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0369 0.029
Loa Loa (eye worm) hypothetical protein 0.0119 0.5909 0.9051
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0164 0.9555 0.9551
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.6528 1
Schistosoma mansoni hypothetical protein 0.0049 0.0319 0.0526
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0164 0.9555 0.9551
Loa Loa (eye worm) hypothetical protein 0.0055 0.079 0.121
Loa Loa (eye worm) disintegrin family protein 0.0071 0.2055 0.3148
Echinococcus multilocularis protein patched 0.0051 0.0466 0.0388
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0369 0.0566
Loa Loa (eye worm) hypothetical protein 0.0062 0.1387 0.2124
Schistosoma mansoni hypothetical protein 0.0049 0.0319 0.0526
Mycobacterium leprae PROBABLE HYDROLASE 0.0055 0.079 0.5
Brugia malayi MH2 domain containing protein 0.0127 0.6528 1
Brugia malayi CHE-14 protein 0.0051 0.0466 0.0714
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0055 0.079 0.121
Onchocerca volvulus Matrix metalloproteinase homolog 0.01 0.4415 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.5909 0.5875
Brugia malayi Hemopexin family protein 0.0064 0.1515 0.2321
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0466 0.0388
Schistosoma mansoni dihydroceramide desaturase 0.0097 0.4181 0.6903
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0615 0.0942
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0369 0.061
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0466 0.0388
Mycobacterium ulcerans hydrolase 0.0055 0.079 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0369 0.029
Loa Loa (eye worm) matrixin family protein 0.01 0.4415 0.6763
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0369 0.0566
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0065 0.1571 0.1501
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.6056 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] 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
Potency (functional) 44.6684 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) 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.

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