Detailed information for compound 256022

Basic information

Technical information
  • TDR Targets ID: 256022
  • Name: (3Z)-3-[[4-(2-carboxyethyl)-3-methyl-1H-pyrro l-2-yl]methylidene]-2-oxo-1H-indole-5-carboxy lic acid
  • MW: 340.33 | Formula: C18H16N2O5
  • H donors: 4 H acceptors: 5 LogP: 1.37 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCc1c[nH]c(c1C)/C=C/1\C(=O)Nc2c1cc(cc2)C(=O)O
  • InChi: 1S/C18H16N2O5/c1-9-11(3-5-16(21)22)8-19-15(9)7-13-12-6-10(18(24)25)2-4-14(12)20-17(13)23/h2,4,6-8,19H,3,5H2,1H3,(H,20,23)(H,21,22)(H,24,25)/b13-7-
  • InChiKey: PBQQBKGLQWKLKQ-QPEQYQDCSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (3Z)-3-[[4-(2-carboxyethyl)-3-methyl-1H-pyrrol-2-yl]methylene]-2-oxo-indoline-5-carboxylic acid
  • (3Z)-3-[[4-(2-carboxyethyl)-3-methyl-1H-pyrrol-2-yl]methylene]-2-oxo-5-indolinecarboxylic acid
  • (3Z)-3-[[4-(2-carboxyethyl)-3-methyl-1H-pyrrol-2-yl]methylene]-2-keto-indoline-5-carboxylic acid
  • 3-substituted indolin-2-one 11b

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

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

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
Onchocerca volvulus 0.0654 1 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0654 1 0.5
Mycobacterium ulcerans thymidylate synthase 0.0654 1 0.5
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0654 1 0.5
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0654 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0153 0.0153
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0654 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0153 0.0153
Schistosoma mansoni tyrosine kinase 0.0122 0.1288 0.1288
Echinococcus granulosus thymidylate synthase 0.0654 1 1
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0122 0.1288 0.1259
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0122 0.1288 0.1288
Echinococcus granulosus twitchin 0.0046 0.0033 0.0033
Brugia malayi Immunoglobulin I-set domain containing protein 0.0214 0.2787 0.1574
Brugia malayi hypothetical protein 0.0311 0.438 0.3435
Echinococcus granulosus neuroglian 0.0046 0.0033 0.0033
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0654 1 1
Echinococcus granulosus roundabout 2 0.0053 0.0153 0.0153
Echinococcus granulosus fibroblast growth factor receptor 4 0.0122 0.1288 0.1288
Loa Loa (eye worm) TK protein kinase 0.0132 0.1441 0.1441
Echinococcus multilocularis roundabout 2 0.0053 0.0153 0.0121
Schistosoma mansoni nephrin 0.0046 0.0033 0.0033
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0214 0.2787 0.2787
Loa Loa (eye worm) thymidylate synthase 0.0654 1 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0654 1 0.5
Echinococcus multilocularis thymidylate synthase 0.0654 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0654 1 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.0179 0.2221 0.026
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0654 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0311 0.438 0.5
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0654 1 1
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0122 0.1288 0.1259

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.24 uM Inhibitory activity against Vascular endothelial growth factor receptor 2 ChEMBL. 10602697
IC50 (binding) = 0.24 uM Inhibitory activity against Vascular endothelial growth factor receptor 2 ChEMBL. 10602697
IC50 (binding) = 0.77 uM Inhibitory activity against Fibroblast growth factor receptor 1 ChEMBL. 10602697
IC50 (binding) = 0.77 uM Inhibitory activity against Fibroblast growth factor receptor 1 ChEMBL. 10602697
IC50 (binding) = 4.19 uM Inhibitory activity against Platelet-derived growth factor receptor beta ChEMBL. 10602697
IC50 (binding) = 4.19 uM Inhibitory activity against Platelet-derived growth factor receptor beta ChEMBL. 10602697
IC50 (functional) > 50 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 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 (binding) > 100 uM Inhibitory activity against Epidermal growth factor receptor ChEMBL. 10602697
IC50 (binding) > 100 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.

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