Detailed information for compound 1534270

Basic information

Technical information
  • TDR Targets ID: 1534270
  • Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-me thoxy-N-(3-methylpyridin-2-yl)benzamide
  • MW: 437.511 | Formula: C23H23N3O4S
  • H donors: 1 H acceptors: 4 LogP: 3.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1S(=O)(=O)N1CCCc2c1cccc2)C(=O)Nc1ncccc1C
  • InChi: 1S/C23H23N3O4S/c1-16-7-5-13-24-22(16)25-23(27)18-11-12-20(30-2)21(15-18)31(28,29)26-14-6-9-17-8-3-4-10-19(17)26/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,24,25,27)
  • InChiKey: GJJLFVQWMXSOBS-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(3-methyl-2-pyridyl)benzamide
  • T5547034

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Toxoplasma gondii transporter, major facilitator family protein 0.0054 0.1063 0.0793
Trypanosoma brucei sugar transporter, putative 0.0054 0.1063 0.304
Trichomonas vaginalis glucose transporter, putative 0.0054 0.1063 0.1063
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0054 0.1063 0.1941
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Loa Loa (eye worm) hypothetical protein 0.0054 0.1063 0.0793
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0844 0.0567
Trichomonas vaginalis galactokinase, putative 0.0026 0.0293 0.0293
Trypanosoma brucei THT1 - hexose transporter, putative 0.0119 0.2826 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0384 1 1
Trichomonas vaginalis sugar transporter, putative 0.0119 0.2826 0.2826
Trypanosoma cruzi glucose transporter, putative 0.0054 0.1063 0.3763
Echinococcus multilocularis solute carrier family 22 0.0054 0.1063 0.0793
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Loa Loa (eye worm) hypothetical protein 0.0054 0.1063 0.0793
Onchocerca volvulus 0.0054 0.1063 0.5
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Plasmodium falciparum hexose transporter 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1063 0.0793
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0844 0.0567
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0384 1 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0384 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0844 0.0567
Brugia malayi Sugar transporter family protein 0.0054 0.1063 0.0793
Schistosoma mansoni sugar transporter 0.0054 0.1063 0.0793
Onchocerca volvulus 0.0054 0.1063 0.5
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.1063 0.1063
Trichomonas vaginalis myo-inositol transporter, putative 0.0054 0.1063 0.1063
Brugia malayi hypothetical protein 0.0054 0.1063 0.0793
Echinococcus granulosus solute carrier family 22 0.0054 0.1063 0.0793
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Treponema pallidum hypothetical protein 0.0198 0.4954 1
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.1063 0.1063
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Onchocerca volvulus 0.0054 0.1063 0.5
Schistosoma mansoni sugar transporter 0.0054 0.1063 0.0793
Echinococcus multilocularis solute carrier family 22 0.0054 0.1063 0.0793
Trypanosoma brucei glucose transporter, putative 0.0119 0.2826 1
Giardia lamblia Sugar-proton symporter 0.0054 0.1063 1
Plasmodium vivax 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative 0.0172 0.4262 0.3579
Trypanosoma brucei glucose transporter, putative 0.0119 0.2826 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1063 0.0793
Onchocerca volvulus 0.0054 0.1063 0.5
Trypanosoma brucei glucose transporter 1E 0.0119 0.2826 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1063 0.0793
Onchocerca volvulus 0.0054 0.1063 0.5
Mycobacterium ulcerans sugar transporter 0.0054 0.1063 0.1653
Schistosoma mansoni sugar transporter 0.0054 0.1063 0.0793
Trypanosoma brucei glucose transporter 2A 0.0119 0.2826 1
Trypanosoma brucei glucose transporter, putative 0.0119 0.2826 1
Trypanosoma cruzi homoserine kinase 0.0026 0.0293 0.1038
Plasmodium falciparum 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative 0.0172 0.4262 0.3579
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Trypanosoma brucei glucose transporter, putative 0.0119 0.2826 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1063 0.0793
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0054 0.1063 0.304
Entamoeba histolytica galactokinase, putative 0.0026 0.0293 0.5
Echinococcus granulosus solute carrier family 22 0.0054 0.1063 0.0793
Loa Loa (eye worm) major facilitator superfamily transporter 0.0054 0.1063 0.0793
Onchocerca volvulus 0.0054 0.1063 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0844 0.0567
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0054 0.1063 0.0793
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0844 0.0567
Onchocerca volvulus 0.0054 0.1063 0.5
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0054 0.1063 0.1653
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Onchocerca volvulus 0.0054 0.1063 0.5
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0384 1 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0119 0.2826 1
Trypanosoma brucei glucose transporter, putative 0.0119 0.2826 1
Trypanosoma cruzi galactokinase, putative 0.0026 0.0293 0.1038
Leishmania major glucose transporter, lmgt1 0.0119 0.2826 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1063 0.0793
Schistosoma mansoni hypothetical protein 0.0384 1 1
Brugia malayi hypothetical protein 0.0054 0.1063 0.0793
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0384 1 1
Trichomonas vaginalis sugar transporter, putative 0.0119 0.2826 0.2826
Toxoplasma gondii facilitative glucose transporter GT1 0.0384 1 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0384 1 1
Trypanosoma cruzi hexose transporter, putative 0.0054 0.1063 0.3763
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0844 0.0567
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Brugia malayi MH2 domain containing protein 0.0144 0.3503 0.3307
Trichomonas vaginalis conserved hypothetical protein 0.0119 0.2826 0.2826
Brugia malayi major facilitator superfamily protein 0.0054 0.1063 0.0793
Trichomonas vaginalis sugar transporter, putative 0.0119 0.2826 0.2826
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Trichomonas vaginalis galactokinase, putative 0.0026 0.0293 0.0293
Loa Loa (eye worm) sugar transporter 0.0054 0.1063 0.0793
Trypanosoma cruzi hexose transporter, putative 0.0065 0.1364 0.4827
Leishmania major hypothetical protein, conserved 0.0054 0.1063 0.304
Trichomonas vaginalis galactokinase, putative 0.0026 0.0293 0.0293
Echinococcus granulosus synaptic vesicle 2 protein 0.0054 0.1063 0.0793
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3503 0.3307
Trypanosoma cruzi hexose transporter, putative 0.0119 0.2826 1
Giardia lamblia Hexose transporter 0.0054 0.1063 1
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Echinococcus granulosus General substrate transporter 0.033 0.8538 0.8494
Loa Loa (eye worm) hypothetical protein 0.0054 0.1063 0.0793
Brugia malayi Major Facilitator Superfamily protein 0.0054 0.1063 0.0793
Leishmania major glucose transporter/membrane transporter D2, putative 0.0119 0.2826 1
Schistosoma mansoni glucose transport protein 0.0384 1 1
Onchocerca volvulus 0.0054 0.1063 0.5
Trichomonas vaginalis glucose transporter, putative 0.0119 0.2826 0.2826
Loa Loa (eye worm) sugar transporter 0.0384 1 1
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0844 0.0567
Schistosoma mansoni sugar transporter 0.0054 0.1063 0.0793
Trichomonas vaginalis conserved hypothetical protein 0.0119 0.2826 0.2826
Trypanosoma brucei glucose transporter, putative 0.0119 0.2826 1
Trypanosoma cruzi hexose transporter, putative 0.0119 0.2826 1
Echinococcus granulosus Sugar transporter ERD6 protein 0.0054 0.1063 0.0793
Trichomonas vaginalis glucose transporter, putative 0.0119 0.2826 0.2826
Brugia malayi Sugar transporter family protein 0.0054 0.1063 0.0793
Onchocerca volvulus 0.0054 0.1063 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0844 0.0567
Trypanosoma cruzi homoserine kinase 0.0026 0.0293 0.1038
Loa Loa (eye worm) hypothetical protein 0.0054 0.1063 0.0793
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0054 0.1063 0.1653
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Trichomonas vaginalis galactokinase, putative 0.0026 0.0293 0.0293
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Schistosoma mansoni glucose transport protein 0.0384 1 1
Echinococcus multilocularis solute carrier family 22 0.0054 0.1063 0.0793
Loa Loa (eye worm) hypothetical protein 0.0054 0.1063 0.0793
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3503 0.3307
Onchocerca volvulus Putative transporter 0.0054 0.1063 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.1063 0.0793
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0844 0.0567
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Toxoplasma gondii sugar transporter ST2 0.0054 0.1063 0.0793
Trichomonas vaginalis conserved hypothetical protein 0.0384 1 1
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0054 0.1063 0.0793
Trypanosoma cruzi hexose transporter, putative 0.0119 0.2826 1
Onchocerca volvulus 0.0054 0.1063 0.5
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.1063 0.1063
Chlamydia trachomatis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0183 0.4555 0.5
Leishmania major glucose transporter, lmgt2 0.0119 0.2826 1
Trypanosoma cruzi mevalonate kinase, putative 0.0026 0.0293 0.1038
Trypanosoma brucei THT1 - hexose transporter, putative 0.0119 0.2826 1
Onchocerca volvulus 0.0054 0.1063 0.5
Brugia malayi hypothetical protein 0.0054 0.1063 0.0793
Trypanosoma brucei glucose transporter, putative 0.0119 0.2826 1
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Onchocerca volvulus 0.0054 0.1063 0.5
Toxoplasma gondii sugar transporter ST1 0.0054 0.1063 0.0793
Echinococcus granulosus solute carrier family 22 0.0054 0.1063 0.0793
Mycobacterium leprae Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0198 0.4954 0.5
Mycobacterium ulcerans 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0198 0.4954 1
Onchocerca volvulus 0.0054 0.1063 0.5
Schistosoma mansoni glucose transport protein 0.0384 1 1
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0054 0.1063 0.1941
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.1063 0.1063
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Brugia malayi Major Facilitator Superfamily protein 0.0054 0.1063 0.0793
Loa Loa (eye worm) major facilitator superfamily transporter 0.0054 0.1063 0.0793
Leishmania major myo-inositol/proton symporter (MIT) 0.0054 0.1063 0.304
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Echinococcus multilocularis General substrate transporter 0.033 0.8538 0.8494
Trypanosoma cruzi galactokinase, putative 0.0026 0.0293 0.1038
Loa Loa (eye worm) hypothetical protein 0.0054 0.1063 0.0793
Schistosoma mansoni glucose transporter 0.0054 0.1063 0.0793
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Wolbachia endosymbiont of Brugia malayi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0198 0.4954 1
Toxoplasma gondii sugar transporter ST3 0.0054 0.1063 0.0793
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0384 1 1
Trichomonas vaginalis sugar transport protein, putative 0.0054 0.1063 0.1063
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Mycobacterium tuberculosis Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0172 0.4262 1
Trypanosoma cruzi sugar transporter, putative 0.0054 0.1063 0.3763
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Onchocerca volvulus 0.0054 0.1063 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.1063 0.1063
Echinococcus multilocularis solute carrier family 22 0.0054 0.1063 0.0793
Mycobacterium ulcerans integral membrane transport protein 0.0054 0.1063 0.1653
Plasmodium vivax hexose transporter 0.0384 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1063 0.0793
Loa Loa (eye worm) hypothetical protein 0.0054 0.1063 0.0793
Brugia malayi Major Facilitator Superfamily protein 0.0054 0.1063 0.0793
Echinococcus granulosus solute carrier family 22 0.0054 0.1063 0.0793
Trypanosoma brucei glucose transporter, putative 0.0119 0.2826 1
Leishmania major glucose transporter, lmgt3 0.0119 0.2826 1
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Trichomonas vaginalis sugar transporter, putative 0.0054 0.1063 0.1063
Echinococcus multilocularis synaptic vesicle 2 protein 0.0054 0.1063 0.0793
Trypanosoma cruzi hexose transporter 0.0119 0.2826 1
Brugia malayi major facilitator superfamily protein 0.0054 0.1063 0.0793
Loa Loa (eye worm) hypothetical protein 0.0054 0.1063 0.0793
Onchocerca volvulus 0.0054 0.1063 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.6511 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 6.3096 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) 28.1838 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

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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