Detailed information for compound 338166

Basic information

Technical information
  • TDR Targets ID: 338166
  • Name: ethyl 4-[5-(cyclopropylmethoxycarbamoyl)-2,4- difluoroanilino]-5-propan-2-ylpyrrolo[2,1-f][ 1,2,4]triazine-6-carboxylate
  • MW: 473.473 | Formula: C23H25F2N5O4
  • H donors: 2 H acceptors: 4 LogP: 3.9 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cn2c(c1C(C)C)c(ncn2)Nc1cc(C(=O)NOCC2CC2)c(cc1F)F
  • InChi: 1S/C23H25F2N5O4/c1-4-33-23(32)15-9-30-20(19(15)12(2)3)21(26-11-27-30)28-18-7-14(16(24)8-17(18)25)22(31)29-34-10-13-5-6-13/h7-9,11-13H,4-6,10H2,1-3H3,(H,29,31)(H,26,27,28)
  • InChiKey: LWLPNORGRWZWTF-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl 4-[5-(cyclopropylmethoxycarbamoyl)-2,4-difluoro-anilino]-5-isopropyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
  • 4-[5-[(cyclopropylmethoxyamino)-oxomethyl]-2,4-difluoroanilino]-5-isopropyl-6-pyrrolo[2,1-f][1,2,4]triazinecarboxylic acid ethyl ester
  • ethyl 4-[[5-(cyclopropylmethoxycarbamoyl)-2,4-difluoro-phenyl]amino]-5-propan-2-yl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
  • 4-[5-(cyclopropylmethoxycarbamoyl)-2,4-difluoro-anilino]-5-isopropyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester
  • ethyl 4-[[5-(cyclopropylmethoxycarbamoyl)-2,4-difluorophenyl]amino]-5-propan-2-ylpyrrolo[5,1-f][1,2,4]triazine-6-carboxylate
  • ethyl 4-[[5-(cyclopropylmethoxycarbamoyl)-2,4-difluoro-phenyl]amino]-5-isopropyl-pyrrolo[5,1-f][1,2,4]triazine-6-carboxylate
  • 4-[[5-[(cyclopropylmethoxyamino)-oxomethyl]-2,4-difluorophenyl]amino]-5-isopropyl-6-pyrrolo[5,1-f][1,2,4]triazinecarboxylic acid ethyl ester
  • 4-[[5-(cyclopropylmethoxycarbamoyl)-2,4-difluoro-phenyl]amino]-5-isopropyl-pyrrolo[5,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester
  • ethyl 4-[[5-(cyclopropylmethoxycarbamoyl)-2,4-difluoro-phenyl]amino]-5-propan-2-yl-pyrrolo[5,1-f][1,2,4]triazine-6-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Onchocerca volvulus Tyrosine kinase homolog 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
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus 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
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.1242 0.4423
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.039 0.2775 1
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0104 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0027 0.0076
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0308 0.1092
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.039 0.2775 1
Schistosoma mansoni hypothetical protein 0.0018 0.0026 0.0026
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0308 0.1025
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0347 0.2455 0.8842
Schistosoma mansoni hypothetical protein 0.0018 0.0026 0.0026
Schistosoma mansoni hypothetical protein 0.0018 0.0026 0.0026
Echinococcus granulosus traf and tnf receptor associated protein 0.0352 0.2493 0.2493
Brugia malayi hypothetical protein 0.0028 0.0104 0.0284
Schistosoma mansoni microsomal glutathione s-transferase 0.137 1 1
Brugia malayi hypothetical protein 0.004 0.0194 0.0608
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0183 0.1242 0.4465
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0308 0.1025
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.039 0.2775 0.2775
Loa Loa (eye worm) hypothetical protein 0.0038 0.0178 0.0621
Schistosoma mansoni hypothetical protein 0.0018 0.0026 0.0026
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.039 0.2775 0.2775
Toxoplasma gondii MAPEG family protein 0.137 1 1
Onchocerca volvulus Tyrosine kinase homolog 0.0171 0.1154 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0026 0.0026
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0194 0.0194
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0104 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.0308 0.1092
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.039 0.2775 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0194 0.0194
Schistosoma mansoni hypothetical protein 0.004 0.0194 0.0194
Loa Loa (eye worm) hypothetical protein 0.0018 0.0026 0.0074
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.019 0.1298 0.1298
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0026 0.0026
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0178 0.0551
Echinococcus granulosus roundabout 2 0.0018 0.0027 0.0027
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.039 0.2775 0.2775
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0026 0.0026
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.137 1 1
Echinococcus granulosus GPCR family 2 0.0018 0.0026 0.0026
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.039 0.2775 1
Echinococcus multilocularis roundabout 2 0.0018 0.0027 0.0027
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0194 0.0194
Echinococcus multilocularis transcription factor Dp 1 0.0226 0.1563 0.1563
Echinococcus granulosus transcription factor Dp 1 0.0226 0.1563 0.1563
Echinococcus granulosus geminin 0.019 0.1298 0.1298
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0026 0.0074
Echinococcus multilocularis traf and tnf receptor associated protein 0.0352 0.2493 0.2493
Loa Loa (eye worm) hypothetical protein 0.0018 0.0027 0.0076
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.039 0.2775 1
Schistosoma mansoni hypothetical protein 0.0038 0.0178 0.0178
Echinococcus multilocularis GPCR, family 2 0.0018 0.0026 0.0026
Schistosoma mansoni cell adhesion molecule 0.0015 0.0006 0.0006
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0342 0.2418 0.2337
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.039 0.2775 1
Schistosoma mansoni hypothetical protein 0.019 0.1298 0.1298
Echinococcus multilocularis microsomal glutathione S transferase 3 0.137 1 1
Echinococcus multilocularis geminin 0.019 0.1298 0.1298
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0104 0.5
Brugia malayi hypothetical protein 0.0018 0.0031 0.0015
Loa Loa (eye worm) hypothetical protein 0.0028 0.0104 0.0356
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.039 0.2775 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0026 0.0026
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0352 0.2493 0.8975

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 190 nM Inhibition of human vascular endothelial growth factor receptor 2 kinase activity ChEMBL. 15943473
IC50 (binding) = 190 nM Inhibition of human vascular endothelial growth factor receptor 2 kinase activity ChEMBL. 15943473

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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