Detailed information for compound 103913

Basic information

Technical information
  • TDR Targets ID: 103913
  • Name: 6-bromo-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1 ,3-thiazolidine-4-carbonyl]indole-1-carboxami de
  • MW: 459.359 | Formula: C20H19BrN4O2S
  • H donors: 1 H acceptors: 3 LogP: 2.88 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc2c(c1)n(cc2C(=O)[C@@H]1CSC(N1)c1cccnc1)C(=O)N(C)C
  • InChi: 1S/C20H19BrN4O2S/c1-24(2)20(27)25-10-15(14-6-5-13(21)8-17(14)25)18(26)16-11-28-19(23-16)12-4-3-7-22-9-12/h3-10,16,19,23H,11H2,1-2H3/t16-,19?/m0/s1
  • InChiKey: XQOHOAPORHVHSQ-UCFFOFKASA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-bromo-N,N-dimethyl-3-[(4R)-2-(3-pyridyl)thiazolidine-4-carbonyl]indole-1-carboxamide
  • 6-bromo-N,N-dimethyl-3-[oxo-[(4R)-2-(3-pyridyl)-4-thiazolidinyl]methyl]-1-indolecarboxamide
  • 6-bromo-N,N-dimethyl-3-[[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]carbonyl]indole-1-carboxamide
  • 6-bromo-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl1,3-thiazolidine-4-carbonyl]indole-1-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Cavia porcellus Platelet activating factor receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis allatostatin A receptor Platelet activating factor receptor   342 aa 334 aa 23.4 %
Echinococcus multilocularis g-protein coupled receptor Platelet activating factor receptor   342 aa 351 aa 22.5 %
Loa Loa (eye worm) hypothetical protein Platelet activating factor receptor   342 aa 355 aa 22.5 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 320 aa 24.7 %
Echinococcus granulosus rhodopsin orphan GPCR Platelet activating factor receptor   342 aa 278 aa 16.5 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 319 aa 21.6 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 394 aa 20.3 %
Schistosoma mansoni neuropeptide F-like receptor Platelet activating factor receptor   342 aa 325 aa 22.2 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 321 aa 19.6 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 327 aa 21.7 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 295 aa 21.7 %
Schistosoma mansoni neuropeptide receptor Platelet activating factor receptor   342 aa 338 aa 24.9 %
Schistosoma mansoni neuropeptide receptor Platelet activating factor receptor   342 aa 292 aa 20.5 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 342 aa 19.6 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Platelet activating factor receptor   342 aa 283 aa 20.5 %
Echinococcus granulosus g-protein coupled receptor Platelet activating factor receptor   342 aa 352 aa 22.2 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 300 aa 21.0 %
Echinococcus granulosus allatostatin A receptor Platelet activating factor receptor   342 aa 334 aa 22.8 %
Schistosoma mansoni peptide (allatostatin)-like receptor Platelet activating factor receptor   342 aa 344 aa 25.6 %
Schistosoma mansoni opsin-like receptor Platelet activating factor receptor   342 aa 318 aa 21.7 %
Echinococcus granulosus neuropeptide receptor Platelet activating factor receptor   342 aa 304 aa 23.4 %
Echinococcus multilocularis rhodopsin orphan GPCR Platelet activating factor receptor   342 aa 278 aa 16.5 %
Echinococcus granulosus tachykinin peptides receptor 99D Platelet activating factor receptor   342 aa 314 aa 21.3 %
Onchocerca volvulus Cyclin-dependent kinase 20 homolog Platelet activating factor receptor   342 aa 383 aa 23.8 %
Echinococcus multilocularis neuropeptide receptor Platelet activating factor receptor   342 aa 303 aa 23.1 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Platelet activating factor receptor   342 aa 340 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis tubulin alpha chain 0.0284 1 1
Leishmania major alpha tubulin 0.0284 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0284 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0218 0.5658 0.494
Echinococcus granulosus tubulin alpha chain 0.0284 1 1
Leishmania major alpha tubulin 0.0284 1 1
Entamoeba histolytica tubulin alpha chain, putative 0.0284 1 1
Echinococcus multilocularis tubulin alpha chain 0.0284 1 1
Schistosoma mansoni tubulin subunit alpha 0.0284 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0218 0.5658 0.5658
Brugia malayi Tubulin alpha-2 chain 0.0284 1 1
Toxoplasma gondii alpha-tubulin I, putative 0.0284 1 1
Loa Loa (eye worm) tubulin beta chain 0.0153 0.142 0.142
Leishmania major alpha tubulin 0.0284 1 1
Echinococcus multilocularis tubulin subunit TubB 0.0284 1 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0218 0.5658 0.5658
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0284 1 1
Schistosoma mansoni tubulin subunit alpha 0.0284 1 1
Leishmania major alpha tubulin 0.0284 1 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0198 0.4342 0.4342
Entamoeba histolytica tubulin alpha-1 chain 0.0284 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0284 1 1
Giardia lamblia Alpha-tubulin 0.0284 1 1
Echinococcus granulosus tubulin alpha chain 0.0284 1 1
Giardia lamblia Alpha-tubulin 0.0284 1 1
Echinococcus multilocularis tubulin alpha chain 0.0284 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0153 0.142 0.142
Echinococcus multilocularis tubulin alpha 3 chain 0.0284 1 1
Leishmania major alpha tubulin 0.0284 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0284 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0284 1 1
Trypanosoma brucei alpha tubulin 0.0284 1 1
Loa Loa (eye worm) hypothetical protein 0.0284 1 1
Loa Loa (eye worm) beta-tubulin 0.0153 0.142 0.142
Echinococcus granulosus tubulin alpha 1C chain 0.0284 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0284 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0284 1 1
Leishmania major alpha tubulin 0.0284 1 1
Loa Loa (eye worm) BEN-1 protein 0.0153 0.142 0.142
Loa Loa (eye worm) alpha-tubulin 0.0284 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0284 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0284 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0284 1 1
Loa Loa (eye worm) alpha-tubulin 0.0284 1 1
Schistosoma mansoni tubulin subunit alpha 0.0284 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0284 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0198 0.4342 0.3406
Leishmania major alpha tubulin 0.0284 1 1
Trypanosoma brucei alpha tubulin 0.0284 1 1
Echinococcus granulosus tubulin alpha chain 0.0284 1 1
Schistosoma mansoni alpha tubulin 0.0284 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0153 0.142 0.142
Echinococcus granulosus tubulin alpha 3 chain 0.0284 1 1
Brugia malayi Tubulin alpha-2 chain 0.0284 1 1
Leishmania major alpha tubulin 0.0284 1 1
Leishmania major alpha tubulin 0.0284 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0284 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0284 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0284 1 1
Echinococcus multilocularis tubulin alpha chain 0.0284 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0284 1 1
Echinococcus granulosus tubulin subunit TubB 0.0284 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0284 1 1
Brugia malayi Tubulin alpha chain 0.0284 1 1
Echinococcus granulosus alpha tubulin 0.0284 1 1
Leishmania major alpha tubulin 0.0284 1 1
Echinococcus granulosus tubulin alpha chain 0.0284 1 1
Echinococcus granulosus tubulin alpha chain 0.0284 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0284 1 1
Plasmodium falciparum alpha tubulin 1 0.0284 1 1
Loa Loa (eye worm) tubulin gamma chain 0.0153 0.142 0.142
Leishmania major alpha tubulin 0.0284 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0284 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0218 0.5658 0.5658
Trichomonas vaginalis tubulin beta chain, putative 0.0284 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0284 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0284 1 1
Loa Loa (eye worm) BEN-1 protein 0.0153 0.142 0.142
Plasmodium falciparum alpha tubulin 2 0.0284 1 1
Schistosoma mansoni alpha tubulin 0.0284 1 1
Trypanosoma cruzi alpha tubulin, putative 0.0284 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0284 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0284 1 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0153 0.142 0.142
Toxoplasma gondii alpha tubulin TUBA1 0.0284 1 1
Echinococcus multilocularis hypothetical protein 0.0284 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0284 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0284 1 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.5658 0.5658
Leishmania major alpha tubulin 0.0284 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0284 1 1
Trypanosoma brucei alpha tubulin 0.0284 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0284 1 1
Echinococcus multilocularis tubulin alpha chain 0.0284 1 1
Brugia malayi tubulin alpha chain - mouse 0.0284 1 1
Brugia malayi alpha-tubulin 0.0284 1 1
Schistosoma mansoni alpha tubulin 0.0284 1 1
Loa Loa (eye worm) hypothetical protein 0.0198 0.4342 0.4342
Trypanosoma brucei alpha tubulin 0.0284 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (functional) = 0.6 nM Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]-C18-PAF as radioligand ChEMBL. 8027984
Ki (functional) = 0.6 nM Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]-C18-PAF as radioligand ChEMBL. 8027984

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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