Detailed information for compound 255222

Basic information

Technical information
  • TDR Targets ID: 255222
  • Name: 3-[2,4-dimethyl-5-[(Z)-(2-oxo-5-sulfamoyl-1H- indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propan oic acid
  • MW: 389.426 | Formula: C18H19N3O5S
  • H donors: 4 H acceptors: 5 LogP: 0.81 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCc1c(C)[nH]c(c1C)/C=C/1\C(=O)Nc2c1cc(cc2)S(=O)(=O)N
  • InChi: 1S/C18H19N3O5S/c1-9-12(4-6-17(22)23)10(2)20-16(9)8-14-13-7-11(27(19,25)26)3-5-15(13)21-18(14)24/h3,5,7-8,20H,4,6H2,1-2H3,(H,21,24)(H,22,23)(H2,19,25,26)/b14-8-
  • InChiKey: NCORNUPANAVMRQ-ZSOIEALJSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[2,4-dimethyl-5-[(Z)-(2-oxo-5-sulfamoyl-indolin-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
  • 3-[2,4-dimethyl-5-[(Z)-(2-oxo-5-sulfamoyl-3-indolinylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
  • 3-[5-[(Z)-(2-keto-5-sulfamoyl-indolin-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propionic acid
  • 3-substituted indolin-2-one 16d

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References
Homo sapiens fibroblast growth factor receptor 1 Starlite/ChEMBL References
Homo sapiens platelet-derived growth factor receptor, beta polypeptide Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR002048,Calcium-binding EF-hand;IPR001245,Tyrosine protein kinase;IPR000719,Protein kinase;IPR011009,Protein kinase-like,domai Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus multilocularis fibroblast growth factor receptor 4 Get druggable targets OG5_128769 All targets in OG5_128769
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_128769 All targets in OG5_128769
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus granulosus basic fibroblast growth factor receptor 1 A Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus granulosus fibroblast growth factor receptor 4 Get druggable targets OG5_128769 All targets in OG5_128769
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_128769 All targets in OG5_128769
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Schistosoma japonicum Fibroblast growth factor receptor precursor, putative Get druggable targets OG5_128769 All targets in OG5_128769
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320

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
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0317 1 0.5
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0207 0.5997 0.9365
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0219 0.6404 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0317 1 1
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0109 0.2402 0.5
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0109 0.2395 0.0508
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0122 0.2878 0.2826
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0122 0.2878 0.2878
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0317 1 0.5
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0317 1 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0317 1 1
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0207 0.5997 0.9365
Echinococcus granulosus neuroglian 0.0046 0.0073 0.0073
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0317 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0317 1 1
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0317 1 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0317 1 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0317 1 1
Loa Loa (eye worm) hypothetical protein 0.0207 0.5997 0.9365
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0317 1 1
Echinococcus granulosus fibroblast growth factor receptor 4 0.0122 0.2878 0.2878
Brugia malayi Immunoglobulin I-set domain containing protein 0.0132 0.322 0.1537
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0317 1 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0207 0.5997 0.5997
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0317 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0317 1 1
Loa Loa (eye worm) TK protein kinase 0.0132 0.322 0.5029
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0317 1 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0317 1 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0317 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0317 1 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0207 0.5991 0.4996
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0207 0.5997 0.4737
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0317 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0317 1 1
Schistosoma mansoni nephrin 0.0046 0.0073 0.0073
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0214 0.6231 0.973
Echinococcus granulosus roundabout 2 0.0053 0.0342 0.0342
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0317 1 0.5
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0219 0.6404 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0317 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0317 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0207 0.5997 0.4737
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0317 1 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0317 1 0.5
Schistosoma mansoni tyrosine kinase 0.0122 0.2878 0.2878
Onchocerca volvulus Tyrosine kinase homolog 0.0179 0.4966 1
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0122 0.2878 0.2826
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0207 0.5997 0.5968
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0317 1 0.5
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0317 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0342 0.0534
Echinococcus multilocularis roundabout 2 0.0053 0.0342 0.0271
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0317 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0214 0.6231 0.5296
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0207 0.5991 0.4996
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0317 1 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0317 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0317 1 1
Echinococcus granulosus twitchin 0.0046 0.0073 0.0073
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0109 0.2402 0.5
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0317 1 0.5
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0317 1 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0317 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0342 0.0534
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0317 1 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0317 1 1
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0317 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.28 uM Inhibitory activity against Fibroblast growth factor receptor 1 ChEMBL. 10602697
IC50 (binding) = 0.28 uM Inhibitory activity against Fibroblast growth factor receptor 1 ChEMBL. 10602697
IC50 (binding) = 1.26 uM Inhibitory activity against Vascular endothelial growth factor receptor 2 ChEMBL. 10602697
IC50 (binding) = 1.26 uM Inhibitory activity against Vascular endothelial growth factor receptor 2 ChEMBL. 10602697
IC50 (binding) = 1.53 uM Inhibitory activity against Platelet-derived growth factor receptor beta ChEMBL. 10602697
IC50 (binding) = 1.53 uM Inhibitory activity against Platelet-derived growth factor receptor beta ChEMBL. 10602697
IC50 (functional) = 42.8 uM Inhibitory activity of compound against VEGF induced cell proliferation ChEMBL. 10602697
IC50 (functional) = 42.8 uM Inhibitory activity of compound against VEGF induced cell proliferation ChEMBL. 10602697
IC50 (functional) > 50 uM Inhibitory activity of compound against FGF induced cell proliferation ChEMBL. 10602697
IC50 (functional) > 50 uM Inhibitory activity of compound against PDGF induced cell proliferation ChEMBL. 10602697
IC50 (functional) > 50 uM Inhibitory activity against ligand-dependent EGF cell proliferation ChEMBL. 10602697
IC50 (functional) > 50 uM Inhibitory activity of compound against FGF induced cell proliferation ChEMBL. 10602697
IC50 (functional) > 50 uM Inhibitory activity of compound against PDGF induced cell proliferation ChEMBL. 10602697
IC50 (functional) > 50 uM Inhibitory activity against ligand-dependent EGF cell proliferation ChEMBL. 10602697
IC50 (binding) = 84.8 uM Inhibitory activity against Epidermal growth factor receptor ChEMBL. 10602697
IC50 (binding) = 84.8 uM Inhibitory activity against Epidermal growth factor receptor ChEMBL. 10602697

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

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.