Detailed information for compound 703891

Basic information

Technical information
  • TDR Targets ID: 703891
  • Name: 1'-[3-(trifluoromethyl)benzoyl]spiro[chroman- 2,4'-piperidine]-4-one
  • MW: 389.368 | Formula: C21H18F3NO3
  • H donors: 0 H acceptors: 2 LogP: 3.79 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc(c1)C(F)(F)F)N1CCC2(CC1)CC(=O)c1c(O2)cccc1
  • InChi: 1S/C21H18F3NO3/c22-21(23,24)15-5-3-4-14(12-15)19(27)25-10-8-20(9-11-25)13-17(26)16-6-1-2-7-18(16)28-20/h1-7,12H,8-11,13H2
  • InChiKey: IRIYBWDWBXAIEQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1'-[oxo-[3-(trifluoromethyl)phenyl]methyl]-4-spiro[chroman-2,4'-piperidine]one
  • 1'-[3-(trifluoromethyl)phenyl]carbonylspiro[chroman-2,4'-piperidine]-4-one
  • ZINC04505567

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0554 0.0554
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.016 0.2128 0.4454
Trypanosoma brucei glucosidase, putative 0.0041 0.0334 0.0698
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0334 0.0819
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0453 0.0453
Brugia malayi Glycosyl hydrolases family 31 protein 0.0183 0.2475 0.386
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0554 0.0554
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0334 0.0334
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0334 0.0698
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0337 0.4779 1
Echinococcus granulosus muscleblind protein 0.0446 0.641 0.641
Trichomonas vaginalis conserved hypothetical protein 0.016 0.2128 0.5221
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.005 0.0105
Loa Loa (eye worm) T-complex protein 1 0.0023 0.0075 0.0117
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.0103 0.0161
Treponema pallidum fructose-bisphosphate aldolase 0.029 0.4076 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0334 0.0819
Echinococcus multilocularis muscleblind protein 1 0.0446 0.641 0.641
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.1849 0.3551
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0023 0.0075 0.0075
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0334 0.0819
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0273 0.0273
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0453 0.0707
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0334 0.0819
Leishmania major T-complex protein 1, beta subunit, putative 0.0023 0.0075 0.0156
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0068 0.0068
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0297 0.0621
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0334 0.0819
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0554 0.0865
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0453 0.0453
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0183 0.2475 0.386
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0025 0.0103 0.0103
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0023 0.0075 0.0075
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.4076 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0334 0.0334
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0334 0.0819
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0334 0.0819
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0023 0.0075 0.0156
Brugia malayi Bromodomain containing protein 0.0077 0.0871 0.1359
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1457 0.2273
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1457 0.2273
Mycobacterium ulcerans thymidylate synthase 0.0337 0.4779 1
Echinococcus multilocularis muscleblind protein 0.0446 0.641 0.641
Loa Loa (eye worm) hypothetical protein 0.0072 0.0806 0.1257
Schistosoma mansoni microtubule-associated protein tau 0.0685 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0334 0.0819
Schistosoma mansoni alpha-glucosidase 0.0158 0.2091 0.2091
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0023 0.0075 0.0183
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0023 0.0075 0.0075
Brugia malayi hypothetical protein 0.016 0.2128 0.332
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0554 0.0554
Giardia lamblia TCP-1 chaperonin subunit beta 0.0023 0.0075 0.0183
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0023 0.0075 0.0156
Schistosoma mansoni alpha glucosidase 0.0041 0.0334 0.0334
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0337 0.4779 1
Onchocerca volvulus 0.0337 0.4779 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0453 0.0707
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0334 0.0698
Schistosoma mansoni hypothetical protein 0.0296 0.4162 0.4162
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.4076 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.005 0.0078
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.1849 0.3464
Mycobacterium tuberculosis Hypothetical protein 0.016 0.2128 0.4165
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0297 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0297 0.0621
Echinococcus multilocularis thymidylate synthase 0.0337 0.4779 0.4779
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0334 0.0819
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0297 0.0728
Schistosoma mansoni hypothetical protein 0.0021 0.0039 0.0039
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0337 0.4779 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0068 0.0068
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0453 0.0453
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0192 0.2601 0.2601
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0637 0.0637
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0453 0.0453
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0337 0.4779 1
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0453 0.0453
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0334 0.0819
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.4076 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0334 0.0521
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0297 0.0728
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.4076 1
Schistosoma mansoni inositol monophosphatase 0.0038 0.0297 0.0297
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0297 0.0297
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0023 0.0075 0.0183
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0023 0.0075 0.0075
Brugia malayi T-complex protein 1, beta subunit 0.0023 0.0075 0.0117
Echinococcus granulosus serine protein kinase ATM 0.0025 0.0103 0.0103
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0637 0.0637
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0453 0.0453
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0554 0.0554
Echinococcus granulosus zinc finger protein 0.002 0.0023 0.0023
Brugia malayi PHD-finger family protein 0.0025 0.0104 0.0163
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.029 0.4076 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.2475 0.2475
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0297 0.0728
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0297 0.0297
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0337 0.4779 1
Echinococcus multilocularis serine protein kinase ATM 0.0025 0.0103 0.0103
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0297 0.0728
Schistosoma mansoni alpha-glucosidase 0.0158 0.2091 0.2091
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0297 0.0621
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0297 0.0621
Toxoplasma gondii t-complex protein beta subunit 0.0023 0.0075 0.0156
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0297 0.0621
Echinococcus multilocularis microtubule associated protein 2 0.0685 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0273 0.0273
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0192 0.2601 0.2601
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0337 0.4779 0.4779
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.4076 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0337 0.4779 1
Echinococcus multilocularis zinc finger protein 0.002 0.0023 0.0023
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.4076 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0337 0.4779 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0039 0.0311 0.0484
Brugia malayi mbt repeat family protein 0.0049 0.0453 0.0707
Brugia malayi thymidylate synthase 0.0337 0.4779 0.7454
Trichomonas vaginalis chaperonin, putative 0.0023 0.0075 0.0183
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0142 0.1849 0.3551
Brugia malayi MH2 domain containing protein 0.0116 0.1457 0.2273
Loa Loa (eye worm) hypothetical protein 0.0446 0.641 1
Brugia malayi mbt repeat family protein 0.0049 0.0453 0.0707
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0334 0.0698
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0068 0.0068
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0334 0.0698
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0334 0.0521
Loa Loa (eye worm) inositol-1 0.0038 0.0297 0.0463
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0001 0.0001
Brugia malayi T-complex protein 1, beta subunit 0.0023 0.0075 0.0117
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.029 0.4076 1
Schistosoma mansoni inositol monophosphatase 0.0038 0.0297 0.0297
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0337 0.4779 1
Loa Loa (eye worm) hypothetical protein 0.0446 0.641 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.4076 1
Echinococcus granulosus thymidylate synthase 0.0337 0.4779 0.4779
Giardia lamblia Fructose-bisphosphate aldolase 0.029 0.4076 1
Toxoplasma gondii FATC domain-containing protein 0.0025 0.0103 0.0216
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.2475 0.2475
Schistosoma mansoni zinc finger protein 0.002 0.0023 0.0023
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0453 0.0453
Loa Loa (eye worm) hypothetical protein 0.0055 0.0554 0.0865
Loa Loa (eye worm) hypothetical protein 0.0044 0.0376 0.0587
Loa Loa (eye worm) hypothetical protein 0.0042 0.0347 0.0541
Schistosoma mansoni bromodomain containing protein 0.0065 0.0692 0.0692
Entamoeba histolytica hypothetical protein 0.0025 0.0103 0.0254
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0025 0.0103 0.0216
Brugia malayi Inositol-1 0.0038 0.0297 0.0463
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.0103 0.0216
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0023 0.0075 0.0075
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.4076 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0183 0.2475 0.2475
Loa Loa (eye worm) thymidylate synthase 0.0337 0.4779 0.7454
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0334 0.0819
Brugia malayi Bromodomain containing protein 0.0039 0.0309 0.0483
Onchocerca volvulus 0.0106 0.1315 0.1991
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0554 0.0554
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0103 0.0254
Brugia malayi Muscleblind-like protein 0.0446 0.641 1
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0039 0.0061
Loa Loa (eye worm) MBCTL1 0.0055 0.0554 0.0865

Activities

No activities found for this compound.

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

No literature references available for this target.

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