Detailed information for compound 303266

Basic information

Technical information
  • TDR Targets ID: 303266
  • Name: 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methy limidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-c arboxamide
  • MW: 455.484 | Formula: C26H22FN5O2
  • H donors: 0 H acceptors: 4 LogP: 3.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1ccc2c(c1)n(cc2C(=O)Cn1c(C)nc2c1ccnc2)C(=O)N(C)C
  • InChi: 1S/C26H22FN5O2/c1-16-29-22-13-28-11-10-23(22)31(16)15-25(33)21-14-32(26(34)30(2)3)24-12-18(6-9-20(21)24)17-4-7-19(27)8-5-17/h4-14H,15H2,1-3H3
  • InChiKey: GYPDWEMMDNUGPB-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methyl-1-imidazo[4,5-c]pyridinyl)-1-oxoethyl]-1-indolecarboxamide
  • 6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanoyl]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
Schistosoma mansoni neuropeptide F-like receptor Platelet activating factor receptor   342 aa 325 aa 22.2 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 295 aa 21.7 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 394 aa 20.3 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 319 aa 21.6 %
Schistosoma mansoni opsin-like receptor Platelet activating factor receptor   342 aa 318 aa 21.7 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 300 aa 21.0 %
Schistosoma mansoni peptide (allatostatin)-like receptor Platelet activating factor receptor   342 aa 344 aa 25.6 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 327 aa 21.7 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Platelet activating factor receptor   342 aa 283 aa 20.5 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Platelet activating factor receptor   342 aa 340 aa 23.8 %
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 %
Echinococcus granulosus rhodopsin orphan GPCR Platelet activating factor receptor   342 aa 278 aa 16.5 %
Echinococcus multilocularis neuropeptide receptor Platelet activating factor receptor   342 aa 303 aa 23.1 %
Echinococcus granulosus allatostatin A receptor Platelet activating factor receptor   342 aa 334 aa 22.8 %
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 %
Echinococcus granulosus g-protein coupled receptor Platelet activating factor receptor   342 aa 352 aa 22.2 %
Echinococcus granulosus neuropeptide receptor Platelet activating factor receptor   342 aa 304 aa 23.4 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 321 aa 19.6 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 320 aa 24.7 %
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 %
Onchocerca volvulus Platelet activating factor receptor   342 aa 342 aa 19.6 %
Loa Loa (eye worm) hypothetical protein Platelet activating factor receptor   342 aa 355 aa 22.5 %
Onchocerca volvulus Cyclin-dependent kinase 20 homolog Platelet activating factor receptor   342 aa 383 aa 23.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis rac serine:threonine kinase 0.0071 0.6622 0.8748
Loa Loa (eye worm) histone deacetylase 0.006 0.5489 0.5224
Leishmania major histone deacetylase, putative 0.006 0.5489 1
Echinococcus multilocularis histone deacetylase 6 0.006 0.5489 0.7114
Trypanosoma cruzi histone deacetylase, putative 0.0018 0.132 0.1993
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0067 0.615 0.8067
Entamoeba histolytica PH domain containing protein kinase, putative 0.0071 0.6622 0.6622
Trichomonas vaginalis histone deacetylase, putative 0.0018 0.132 0.132
Trypanosoma brucei histone deacetylase 3 0.006 0.5489 0.5489
Schistosoma mansoni serine/threonine-protein kinase 0.0071 0.6622 0.8748
Loa Loa (eye worm) histone deacetylase 3 0.0018 0.132 0.0809
Trypanosoma brucei histone deacetylase 2 0.0018 0.132 0.132
Trypanosoma cruzi histone deacetylase, putative 0.006 0.5489 0.8289
Echinococcus multilocularis serine:threonine protein kinase N2 0.0035 0.298 0.3496
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0018 0.132 0.132
Loa Loa (eye worm) hypothetical protein 0.0042 0.3697 0.3326
Trypanosoma brucei protein phosphatase 2C, putative 0.001 0.0556 0.0556
Loa Loa (eye worm) hypothetical protein 0.0018 0.132 0.0809
Echinococcus granulosus histone deacetylase 8 0.0018 0.132 0.1101
Brugia malayi Protein phosphatase 2C containing protein 0.008 0.749 0.7342
Schistosoma mansoni atypical protein kinase C 0.0035 0.298 0.3496
Trichomonas vaginalis protein phosphatase type 2C, putative 0.001 0.0556 0.0556
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0067 0.615 0.8067
Onchocerca volvulus Histone deacetylase 10 homolog 0.0018 0.132 1
Plasmodium vivax protein phosphatase PPM2, putative 0.001 0.0556 0.0894
Trypanosoma cruzi protein phosphatase 2C-like, putative 0.001 0.0556 0.084
Schistosoma mansoni serine/threonine kinase 0.0035 0.298 0.3496
Trypanosoma cruzi histone deacetylase, putative 0.006 0.5489 0.8289
Trichomonas vaginalis histone deacetylase, putative 0.0018 0.132 0.132
Loa Loa (eye worm) protein phosphatase 2C containing protein 0.008 0.749 0.7342
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.298 0.3496
Toxoplasma gondii histone deacetylase HDAC4 0.0018 0.132 0.1375
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0067 0.6224 1
Loa Loa (eye worm) histone deacetylase 1 0.0018 0.132 0.0809
Echinococcus multilocularis serine:threonine protein kinase 38 0.0035 0.298 0.3496
Trichomonas vaginalis histone deacetylase, putative 0.0018 0.132 0.132
Loa Loa (eye worm) hypothetical protein 0.0035 0.298 0.2567
Echinococcus granulosus histone deacetylase 6 0.006 0.5489 0.7114
Echinococcus granulosus protein phosphatase 1b 0.008 0.749 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0106 1 1
Echinococcus granulosus histone deacetylase 0.006 0.5489 0.7114
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0035 0.298 0.2567
Entamoeba histolytica protein kinase 2, putative 0.0067 0.6224 0.6224
Toxoplasma gondii protein phosphatase 2C domain-containing protein 0.001 0.0556 0.0579
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0035 0.298 0.2567
Schistosoma mansoni protein phosphatase 2C 0.007 0.6482 0.8547
Trypanosoma cruzi histone deacetylase 1, putative 0.0018 0.132 0.1993
Schistosoma mansoni histone deacetylase hda2 0.0018 0.132 0.1101
Plasmodium vivax histone deacetylase 2, putative 0.006 0.5489 0.8819
Echinococcus granulosus protein kinase c epsilon type 0.0035 0.298 0.3496
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0071 0.6622 1
Toxoplasma gondii histone deacetylase HDAC2 0.0018 0.132 0.1375
Echinococcus multilocularis nervana 2 0.0067 0.615 0.8067
Brugia malayi Hr1 repeat family protein 0.0035 0.298 0.2567
Schistosoma mansoni histone deacetylase 1 2 3 0.0018 0.132 0.1101
Brugia malayi histone deacetylase 11 0.0018 0.132 0.0809
Echinococcus multilocularis histone deacetylase 6 0.006 0.5489 0.7114
Echinococcus granulosus Protein kinase C brain isozyme 0.0035 0.298 0.3496
Brugia malayi Histone deacetylase 1 0.0018 0.132 0.0809
Brugia malayi histone deacetylase 1 (HD1) 0.0018 0.132 0.0809
Loa Loa (eye worm) histone deacetylase 7A 0.006 0.5489 0.5224
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0035 0.298 0.3496
Trichomonas vaginalis AGC family protein kinase 0.0106 1 1
Echinococcus multilocularis histone deacetylase 3 0.0018 0.132 0.1101
Toxoplasma gondii histone deacetylase HDAC5 0.0018 0.132 0.1375
Echinococcus multilocularis Glutaredoxin protein 5 0.0067 0.615 0.8067
Giardia lamblia Histone deacetylase 0.0018 0.132 0.1347
Trichomonas vaginalis AGC family protein kinase 0.0106 1 1
Trichomonas vaginalis AGC family protein kinase 0.0106 1 1
Echinococcus granulosus Glutaredoxin protein 5 0.0067 0.615 0.8067
Trichomonas vaginalis AGC family protein kinase 0.0106 1 1
Trichomonas vaginalis AGC family protein kinase 0.0106 1 1
Echinococcus granulosus nervana 2 0.0067 0.615 0.8067
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0018 0.132 0.132
Leishmania major protein phosphatase 2C, putative 0.001 0.0556 0.1014
Loa Loa (eye worm) AGC/NDR protein kinase 0.0035 0.298 0.2567
Trypanosoma cruzi histone deacetylase 1, putative 0.0018 0.132 0.1993
Trypanosoma cruzi Protein kinase B 0.0071 0.6622 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0067 0.6224 0.9399
Echinococcus granulosus serine:threonine protein kinase N2 0.0035 0.298 0.3496
Schistosoma mansoni protein phosphatase 2C 0.008 0.749 1
Trypanosoma brucei histone deacetylase 4 0.006 0.5489 0.5489
Leishmania major histone deacetylase, putative 0.0018 0.132 0.2405
Plasmodium falciparum protein phosphatase PPM2 0.001 0.0556 0.0894
Trypanosoma brucei histone deacetylase 1 0.0018 0.132 0.132
Brugia malayi Protein kinase domain containing protein 0.0035 0.298 0.2567
Echinococcus granulosus serine/threonine protein kinase 0.0071 0.6622 0.8748
Plasmodium falciparum histone deacetylase, putative 0.006 0.5489 0.8819
Brugia malayi Protein kinase domain containing protein 0.0035 0.298 0.2567
Schistosoma mansoni serine/threonine-protein kinase 0.0071 0.6622 0.8748
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.298 0.3496
Schistosoma mansoni histone deacetylase 4 5 0.006 0.5489 0.7114
Echinococcus granulosus nervana 2 0.0067 0.615 0.8067
Giardia lamblia Kinase, AGC PKA 0.0067 0.6224 1
Entamoeba histolytica protein kinase, putative 0.0106 1 1
Brugia malayi Histone deacetylase family protein 0.006 0.5489 0.5224
Brugia malayi histone deacetylase 3 (HD3) 0.0018 0.132 0.0809
Toxoplasma gondii AGC kinase 0.0102 0.9602 1
Echinococcus multilocularis protein kinase c epsilon type 0.0035 0.298 0.3496
Plasmodium vivax histone deacetylase 1, putative 0.0018 0.132 0.2121
Schistosoma mansoni histone deacetylase 0.0018 0.132 0.1101
Echinococcus granulosus protein phosphatase 1b 0.007 0.6482 0.8547
Loa Loa (eye worm) hypothetical protein 0.0042 0.3697 0.3326
Entamoeba histolytica protein kinase, putative 0.0106 1 1
Echinococcus granulosus protein kinase C gamma type 0.0035 0.298 0.3496
Toxoplasma gondii protein phosphatase 2C domain-containing protein 0.001 0.0556 0.0579
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0035 0.298 0.3496
Plasmodium falciparum histone deacetylase 1 0.0018 0.132 0.2121
Echinococcus granulosus histone deacetylase 1 0.0018 0.132 0.1101
Trichomonas vaginalis AGC family protein kinase 0.0035 0.298 0.298
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0035 0.298 0.2567
Schistosoma mansoni protein phosphatase 2C 0.007 0.6482 0.8547
Echinococcus multilocularis histone deacetylase 7 0.006 0.5489 0.7114
Trichomonas vaginalis histone deacetylase, putative 0.0018 0.132 0.132
Trichomonas vaginalis histone deacetylase, putative 0.0018 0.132 0.132
Loa Loa (eye worm) histone deacetylase 11 0.0018 0.132 0.0809
Trichomonas vaginalis AGC family protein kinase 0.0035 0.298 0.298
Trichomonas vaginalis histone deacetylase, putative 0.0018 0.132 0.132
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.298 0.3496
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0035 0.298 0.3496
Plasmodium vivax histone deacetylase, putative 0.0018 0.132 0.2121
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0034 0.2906 0.2906
Trypanosoma cruzi histone deacetylase, putative 0.006 0.5489 0.8289
Loa Loa (eye worm) AGC/PKN protein kinase 0.0035 0.298 0.2567
Brugia malayi Histone deacetylase family protein 0.006 0.5489 0.5224
Echinococcus multilocularis protein phosphatase 1b 0.007 0.6482 0.8547
Loa Loa (eye worm) AGC/AKT protein kinase 0.0106 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0018 0.132 0.1993
Echinococcus granulosus histone deacetylase 7 0.006 0.5489 0.7114
Echinococcus granulosus serine threonine protein kinase nrc 0.0067 0.6224 0.8175
Trichomonas vaginalis AGC family protein kinase 0.0106 1 1
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0035 0.298 0.3496
Echinococcus multilocularis serine:threonine protein kinase N2 0.0035 0.298 0.3496
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0067 0.6224 0.8175
Trichomonas vaginalis AGC family protein kinase 0.0035 0.298 0.298
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0035 0.298 0.3496
Echinococcus granulosus NDR protein kinase 0.0035 0.298 0.3496
Echinococcus granulosus histone deacetylase 6 0.006 0.5489 0.7114
Entamoeba histolytica protein phosphatase, putative 0.001 0.0556 0.0556
Leishmania major protein phosphatase 2C-like protein 0.001 0.0556 0.1014
Echinococcus granulosus histone deacetylase 3 0.0018 0.132 0.1101
Echinococcus multilocularis protein kinase c iota type 0.0035 0.298 0.3496
Brugia malayi p70 ribosomal S6 kinase beta 0.0102 0.9602 0.9579
Trypanosoma brucei protein phosphatase 2C, putative 0.001 0.0556 0.0556
Echinococcus granulosus histone deacetylase 6 0.006 0.5489 0.7114
Entamoeba histolytica protein kinase, putative 0.0102 0.9602 0.9602
Echinococcus multilocularis nervana 2 0.0067 0.615 0.8067
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0035 0.298 0.3496
Plasmodium falciparum histone deacetylase 2 0.006 0.5489 0.8819
Echinococcus multilocularis histone deacetylase 0.006 0.5489 0.7114
Leishmania major histone deacetylase, putative 0.006 0.5489 1
Toxoplasma gondii histone deacetylase HDAC1 0.006 0.5489 0.5717
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0067 0.6224 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0035 0.298 0.3496
Plasmodium vivax histone deacetylase, putative 0.006 0.5489 0.8819
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0035 0.298 0.2567
Trypanosoma brucei histone deacetylase, putative 0.006 0.5489 0.5489
Trichomonas vaginalis AGC family protein kinase 0.0106 1 1
Entamoeba histolytica protein kinase, putative 0.0035 0.298 0.298
Entamoeba histolytica PH domain containing protein kinase, putative 0.0071 0.6622 0.6622
Leishmania major histone deacetylase, putative 0.0018 0.132 0.2405
Toxoplasma gondii histone deacetylase HDAC3 0.0018 0.132 0.1375
Echinococcus granulosus protein kinase c iota type 0.0035 0.298 0.3496
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.298 0.3496
Echinococcus multilocularis histone deacetylase 1 0.0018 0.132 0.1101
Brugia malayi protein kinase C II. 0.0035 0.298 0.2567
Loa Loa (eye worm) hypothetical protein 0.0018 0.132 0.0809
Trichomonas vaginalis AGC family protein kinase 0.0039 0.3378 0.3378
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0018 0.132 0.132
Echinococcus multilocularis histone deacetylase 6 0.006 0.5489 0.7114
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.298 0.3496
Schistosoma mansoni histone deacetylase 0.0018 0.132 0.1101
Entamoeba histolytica histone deacetylase, putative 0.0018 0.132 0.132
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.298 0.3496
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.298 0.3496
Echinococcus multilocularis protein phosphatase 1b 0.008 0.749 1
Trypanosoma cruzi protein phosphatase 2C, putative 0.001 0.0556 0.084
Schistosoma mansoni histone deacetylase 4 5 0.006 0.5489 0.7114
Schistosoma mansoni histone deacetylase hda2 0.006 0.5489 0.7114
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0102 0.9602 0.9579
Echinococcus multilocularis histone deacetylase 8 0.0018 0.132 0.1101
Echinococcus multilocularis serine threonine protein kinase 0.0035 0.298 0.3496
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0067 0.6224 0.8175

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 1 mg kg-1 Ability to block the effect of exogenously administered PAF upon intravenous administration in PAF-induced rat skin permeability assay ChEMBL. 9438024
ED50 (functional) > 1 mg kg-1 Ability to block the effect of exogenously administered PAF upon intravenous administration in PAF-induced rat skin permeability assay ChEMBL. 9438024
Ki (binding) > 1000 nM Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes ChEMBL. 9438024
Ki (binding) > 1000 nM Binding potency against Platelet activating factor (PAF) receptor using [3H]-C18-PAF as radioligand on rabbit platelet membranes ChEMBL. 9438024

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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