Detailed information for compound 374669

Basic information

Technical information
  • TDR Targets ID: 374669
  • Name: N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroind ol-7-yl]pyridine-4-carboxamide
  • MW: 409.458 | Formula: C21H19N3O4S
  • H donors: 1 H acceptors: 4 LogP: 2.4 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)S(=O)(=O)N1CCc2c1c(ccc2)NC(=O)c1ccncc1
  • InChi: 1S/C21H19N3O4S/c1-28-17-5-7-18(8-6-17)29(26,27)24-14-11-15-3-2-4-19(20(15)24)23-21(25)16-9-12-22-13-10-16/h2-10,12-13H,11,14H2,1H3,(H,23,25)
  • InChiKey: QGWOKAXBIMWTNE-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[1-(4-methoxyphenyl)sulfonylindolin-7-yl]pyridine-4-carboxamide
  • N-[1-(4-methoxyphenyl)sulfonyl-7-indolinyl]-4-pyridinecarboxamide
  • N-[1-(4-methoxyphenyl)sulfonylindolin-7-yl]isonicotinamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tubulin, beta 2B class IIb Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei gambiense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) BEN-1 protein Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma congolense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin gamma chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma cruzi beta tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum ko:K07375 tubulin beta, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium vivax tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin epsilon chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium falciparum tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Cryptosporidium hominis beta-catenin-like repeat protein Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin beta 1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Brugia malayi beta-tubulin, identical Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-1 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Babesia bovis tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium yoelii tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-7 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-1 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-4 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin beta 4A class IVa Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Theileria parva tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-4 chain Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin beta 1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum ko:K07375 tubulin beta, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta-tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin alpha chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin, beta 4A class IVa Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei gambiense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) BEN-1 protein Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin epsilon chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Cryptosporidium parvum tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-2A chain Get druggable targets OG5_126611 All targets in OG5_126611
Brugia malayi Tubulin beta-1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta-1 tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Entamoeba histolytica tubulin family protein Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium berghei tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Entamoeba histolytica tubulin family protein Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum tubulin gamma chain tubulin, beta 2B class IIb 445 aa 438 aa 32.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0045 0.0261 0.0261
Brugia malayi Protein kinase domain containing protein 0.006 0.0745 0.0745
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0045 0.0261 0.0261
Schistosoma mansoni hypothetical protein 0.0153 0.3861 0.3861
Schistosoma mansoni egf-like domain protein 0.0045 0.0261 0.0261
Schistosoma mansoni hypothetical protein 0.006 0.0745 0.0745
Leishmania major hypothetical protein, conserved 0.006 0.0745 0.5
Echinococcus granulosus laminin 0.0045 0.0261 0.0676
Loa Loa (eye worm) hypothetical protein 0.0069 0.1047 0.1047
Loa Loa (eye worm) hypothetical protein 0.0077 0.131 0.131
Toxoplasma gondii kringle domain-containing protein 0.006 0.0745 1
Brugia malayi Calcium binding EGF domain containing protein 0.0045 0.0261 0.0261
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0336 1 1
Echinococcus multilocularis Tolloid protein 1 0.0045 0.0261 0.0676
Loa Loa (eye worm) hypothetical protein 0.0336 1 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.3861 0.3861
Schistosoma mansoni calcium-activated potassium channel 0.0146 0.3612 0.3612
Brugia malayi Fibulin-1 precursor 0.0045 0.0261 0.0261
Mycobacterium ulcerans hypothetical protein 0.0038 0 0.5
Onchocerca volvulus 0.0299 0.8745 0.8745
Onchocerca volvulus 0.0336 1 1
Plasmodium vivax cysteine repeat modular protein 1, putative 0.006 0.0745 0.5
Echinococcus granulosus Tolloid protein 1 0.0045 0.0261 0.0676
Loa Loa (eye worm) hypothetical protein 0.0336 1 1
Echinococcus granulosus tissue type plasminogen activator 0.006 0.0745 0.1929
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0336 1 1
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0045 0.0261 0.0261
Schistosoma mansoni calcium-activated potassium channel 0.0153 0.3861 0.3861
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0045 0.0261 0.0261
Onchocerca volvulus Arrow homolog 0.0045 0.0261 0.0261
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0045 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.006 0.0745 0.0745
Loa Loa (eye worm) hypothetical protein 0.0045 0.0261 0.0261
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0045 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.0045 0.0261 0.0261
Echinococcus multilocularis fibrillin 1 0.0045 0.0261 0.0676
Loa Loa (eye worm) TK/ROR protein kinase 0.006 0.0745 0.0745
Echinococcus granulosus small conductance calcium activated potassium 0.0153 0.3861 1
Onchocerca volvulus 0.006 0.0745 0.0745
Echinococcus multilocularis tissue type plasminogen activator 0.006 0.0745 0.1929
Echinococcus multilocularis laminin 0.0045 0.0261 0.0676
Echinococcus multilocularis small conductance calcium activated potassium 0.0153 0.3861 1
Brugia malayi Kringle domain containing protein 0.006 0.0745 0.0745
Loa Loa (eye worm) hypothetical protein 0.0045 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.0045 0.0261 0.0261
Plasmodium falciparum cysteine repeat modular protein 1 0.006 0.0745 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.006 0.0745 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 8.6 nM Cytotoxicity against human HT29 cell line by methylene blue dye assay ChEMBL. 17154496
IC50 (functional) = 8.6 nM Cytotoxicity against human HT29 cell line by methylene blue dye assay ChEMBL. 17154496
IC50 (functional) = 8.8 nM Cytotoxicity against human MKN45 cell line by methylene blue dye assay ChEMBL. 17154496
IC50 (functional) = 8.8 nM Cytotoxicity against human MKN45 cell line by methylene blue dye assay ChEMBL. 17154496
IC50 (functional) = 8.9 nM Cytotoxicity against KB-VIN 10 cell line by methylene blue dye assay ChEMBL. 17154496
IC50 (functional) = 8.9 nM Cytotoxicity against KB-VIN 10 cell line by methylene blue dye assay ChEMBL. 17154496
IC50 (functional) = 9.4 nM Cytotoxicity against human H460 cell line by methylene blue dye assay ChEMBL. 17154496
IC50 (functional) = 9.4 nM Cytotoxicity against human H460 cell line by methylene blue dye assay ChEMBL. 17154496
IC50 (functional) = 9.6 nM Cytotoxicity against human KB cell line by methylene blue dye assay ChEMBL. 17154496
IC50 (functional) = 9.6 nM Cytotoxicity against human KB cell line by methylene blue dye assay ChEMBL. 17154496
IC50 (functional) = 10.8 nM Cytotoxicity against human TSGH cell line by methylene blue dye assay ChEMBL. 17154496
IC50 (functional) = 10.8 nM Cytotoxicity against human TSGH cell line by methylene blue dye assay ChEMBL. 17154496
IC50 (functional) = 1.1 uM Inhibition of tubulin polymerization ChEMBL. 17154496
IC50 (functional) = 1.1 uM Inhibition of tubulin polymerization ChEMBL. 17154496
Inhibition (binding) = 78 % Inhibition of [3H]colchicine binding to tubulin at 1 uM ChEMBL. 17154496
Inhibition (binding) = 78 % Inhibition of [3H]colchicine binding to tubulin at 1 uM ChEMBL. 17154496
Inhibition (binding) = 96 % Inhibition of [3H]colchicine binding to tubulin at 5 uM ChEMBL. 17154496
Inhibition (binding) = 96 % Inhibition of [3H]colchicine binding to tubulin at 5 uM ChEMBL. 17154496

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17154496

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.