Detailed information for compound 1440420

Basic information

Technical information
  • TDR Targets ID: 1440420
  • Name: N-[1-(2-bromobenzoyl)piperidin-4-yl]benzamide
  • MW: 387.27 | Formula: C19H19BrN2O2
  • H donors: 1 H acceptors: 2 LogP: 3.6 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)NC1CCN(CC1)C(=O)c1ccccc1Br
  • InChi: 1S/C19H19BrN2O2/c20-17-9-5-4-8-16(17)19(24)22-12-10-15(11-13-22)21-18(23)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,21,23)
  • InChiKey: VKAFKDUFCDCDSB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-(2-bromobenzoyl)-4-piperidyl]benzamide
  • N-[1-[(2-bromophenyl)-oxomethyl]-4-piperidinyl]benzamide
  • N-[1-(2-bromophenyl)carbonylpiperidin-4-yl]benzamide
  • Maybridge1_006959
  • Oprea1_247981
  • ZINC01044210

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
Loa Loa (eye worm) hypothetical protein 0.016 0.1697 0.1667
Loa Loa (eye worm) phosphatidylinositol 3 0.0759 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0605 0.7856 0.7822
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0049 0.0159 0.0123
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0118 0.1117 0.1084
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0118 0.1117 0.1038
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0159 0.0159
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0144 0.147 0.1332
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0118 0.1117 0.0973
Loa Loa (eye worm) phosphatidylinositol 3 0.0049 0.0159 0.0123
Trypanosoma brucei cytochrome P450, putative 0.0067 0.0414 0.0259
Loa Loa (eye worm) hypothetical protein 0.0049 0.0159 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0565 0.7304 0.7304
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0049 0.0159 0.0123
Echinococcus multilocularis serine protein kinase ATM 0.0144 0.147 0.1439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.0791 0.0791
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0255 0.3008 0.2983
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.0414 0.0379
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0759 1 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0049 0.0159 0.0123
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0049 0.0159 0.0159
Trichomonas vaginalis PIKK family atypical protein kinase 0.0409 0.5152 0.5152
Trichomonas vaginalis PIKK family atypical protein kinase 0.0565 0.7304 0.7304
Trichomonas vaginalis PIKK family atypical protein kinase 0.0454 0.5766 0.5766
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0049 0.0159 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0565 0.7304 0.7304
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0049 0.0159 0.0159
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0049 0.0159 0.0072
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0605 0.7856 0.7822
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0118 0.1117 0.1084
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0144 0.147 0.1439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0565 0.7304 0.7304
Loa Loa (eye worm) hypothetical protein 0.0048 0.0146 0.011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0509 0.6537 0.6537
Trichomonas vaginalis PIKK family atypical protein kinase 0.0565 0.7304 0.7304
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0049 0.0159 0.0072
Mycobacterium leprae conserved hypothetical protein 0.0049 0.0159 0.5
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0111 0.1019 0.0986
Schistosoma mansoni immunophilin 0.0118 0.1117 0.1038
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0049 0.0159 0.0123
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0759 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0759 1 1
Schistosoma mansoni hypothetical protein 0.0049 0.0159 0.0072
Loa Loa (eye worm) FKBP5 protein 0.0118 0.1117 0.1084
Trichomonas vaginalis conserved hypothetical protein 0.016 0.1697 0.1697
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0759 1 1
Entamoeba histolytica hypothetical protein 0.0144 0.147 0.1332
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0049 0.0159 0.0159
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0118 0.1117 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0049 0.0159 0.0159
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0049 0.0159 0.0123
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0759 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0409 0.5152 0.5152
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0049 0.0159 0.0159
Trichomonas vaginalis PIKK family atypical protein kinase 0.041 0.5161 0.5161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0604 0.7848 0.7848
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0049 0.0159 0.0159
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0118 0.1117 0.0973
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0049 0.0159 0.0123
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0049 0.0159 0.0159
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0255 0.3008 0.2946
Loa Loa (eye worm) hypothetical protein 0.0144 0.147 0.1439
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0255 0.3008 0.2895
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0144 0.147 0.1439
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0049 0.0159 0.0072
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0049 0.0159 0.0072
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0144 0.147 0.1332
Toxoplasma gondii target of rapamycin (TOR), putative 0.0565 0.7304 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0049 0.0159 0.0123
Brugia malayi Cytochrome P450 family protein 0.0067 0.0414 0.0379
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0118 0.1117 0.0973
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0144 0.147 0.1439
Schistosoma mansoni hypothetical protein 0.0111 0.1019 0.0939
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0049 0.0159 0.0072
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0118 0.1117 0.0973
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0118 0.1117 0.0973
Loa Loa (eye worm) phosphatidylinositol 3 0.0049 0.0159 0.0123
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0118 0.1117 0.1084
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0049 0.0159 0.0123
Brugia malayi Cytochrome P450 family protein 0.0067 0.0414 0.0379
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0255 0.3008 0.2983
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0759 1 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0049 0.0159 0.0123
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0095 0.0791 0.0642
Loa Loa (eye worm) phosphatidylinositol 3 0.0049 0.0159 0.0123
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0759 1 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0118 0.1117 0.1117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0159 0.0159
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0315 0.385 0.375
Trichomonas vaginalis PIKK family atypical protein kinase 0.0255 0.3008 0.3008
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0144 0.147 0.1332
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0118 0.1117 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0049 0.0159 0.0123
Trichomonas vaginalis conserved hypothetical protein 0.0095 0.0791 0.0791
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0759 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0255 0.3008 0.3008
Loa Loa (eye worm) hypothetical protein 0.0111 0.1019 0.0986
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0759 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0144 0.147 0.147
Echinococcus multilocularis fk506 binding protein 0.0118 0.1117 0.1084
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0049 0.0159 0.0123
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0049 0.0159 0.0123
Loa Loa (eye worm) hypothetical protein 0.0155 0.1624 0.1593
Trichomonas vaginalis PIKK family atypical protein kinase 0.0493 0.6309 0.6309
Trichomonas vaginalis fk506-binding protein, putative 0.0118 0.1117 0.1117
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0118 0.1117 0.1084
Loa Loa (eye worm) phosphatidylinositol 3 0.0255 0.3008 0.2983
Trichomonas vaginalis PIKK family atypical protein kinase 0.0449 0.5704 0.5704
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0049 0.0159 0.0159
Trichomonas vaginalis PIKK family atypical protein kinase 0.0204 0.2303 0.2303
Loa Loa (eye worm) phosphatidylinositol 3 0.0049 0.0159 0.0123
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0144 0.147 0.1395
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0049 0.0159 0.0072
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0255 0.3008 0.2983
Trichomonas vaginalis PIKK family atypical protein kinase 0.041 0.5161 0.5161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0604 0.7848 0.7848
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0102 0.0892 0.0858
Loa Loa (eye worm) phosphatidylinositol 3 0.0049 0.0159 0.0123
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0118 0.1117 0.1084
Entamoeba histolytica protein kinase rad3, putative 0.0144 0.147 0.1332
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0049 0.0159 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0144 0.147 0.147
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0049 0.0159 0.0123
Leishmania major cytochrome p450-like protein 0.0067 0.0414 0.0259
Trichomonas vaginalis PIKK family atypical protein kinase 0.0759 1 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0049 0.0159 0.0123
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0102 0.0892 0.0858
Trichomonas vaginalis PIKK family atypical protein kinase 0.0565 0.7304 0.7304
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0118 0.1117 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.041 0.5161 0.5161
Echinococcus multilocularis 0.0049 0.0159 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0604 0.7848 0.7848
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.0414 0.0379
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0359 0.4455 0.4366
Onchocerca volvulus 0.0049 0.0159 0.5
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0118 0.1117 0.0973
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0118 0.1117 0.0973
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0255 0.3008 0.2895
Trypanosoma cruzi cytochrome P450, putative 0.0067 0.0414 0.0259
Trypanosoma cruzi cytochrome P450, putative 0.0067 0.0414 0.0259
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0759 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0049 0.0159 0.0159
Onchocerca volvulus 0.0049 0.0159 0.5
Loa Loa (eye worm) phosphatidylinositol kinase 0.0049 0.0159 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0648 0.8462 0.8462
Trichomonas vaginalis immunophilin, putative 0.0118 0.1117 0.1117
Mycobacterium tuberculosis Conserved hypothetical protein 0.0049 0.0159 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0049 0.0159 0.0123
Leishmania major fk506-binding protein 1-like protein 0.0118 0.1117 0.0973
Trichomonas vaginalis PIKK family atypical protein kinase 0.0454 0.5766 0.5766
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0118 0.1117 0.0973
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0605 0.7856 0.7822
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0049 0.0159 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0449 0.5704 0.5704
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0049 0.0159 0.0123
Loa Loa (eye worm) hypothetical protein 0.0095 0.0791 0.0758
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0118 0.1117 0.0973
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0118 0.1117 0.1117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0409 0.5152 0.5152
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0049 0.0159 0.0159
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0118 0.1117 0.1084
Trichomonas vaginalis PIKK family atypical protein kinase 0.041 0.5161 0.5161
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0144 0.147 0.1439
Leishmania major peptidylprolyl isomerase-like protein 0.0118 0.1117 0.0973
Trichomonas vaginalis PIKK family atypical protein kinase 0.0565 0.7304 0.7304
Trichomonas vaginalis PIKK family atypical protein kinase 0.0759 1 1
Loa Loa (eye worm) CYP4Cod1 0.0067 0.0414 0.0379
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0049 0.0159 0.0159
Toxoplasma gondii FATC domain-containing protein 0.0144 0.147 0.1835
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0049 0.0159 0.0159
Trichomonas vaginalis PIKK family atypical protein kinase 0.0604 0.7848 0.7848
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0049 0.0159 0.0072
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0049 0.0159 0.0159
Brugia malayi FAT domain containing protein 0.0111 0.1019 0.0986
Schistosoma mansoni fkbp-rapamycin associated protein 0.0144 0.147 0.1395
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0118 0.1117 0.0973
Loa Loa (eye worm) hypothetical protein 0.0049 0.0159 0.0123
Leishmania major phosphatidylinositol 3-kinase, putative 0.0255 0.3008 0.2895
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0111 0.1019 0.0986
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0049 0.0159 0.0123
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0255 0.3008 0.2895
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0118 0.1117 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0049 0.0159 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0144 0.147 0.147
Trichomonas vaginalis PIKK family atypical protein kinase 0.0604 0.7848 0.7848
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0759 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0255 0.3008 0.3008
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0144 0.147 0.1332
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0049 0.0159 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0255 0.3008 0.3008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0255 0.3008 0.3008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0454 0.5766 0.5766
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0255 0.3008 0.2895
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0255 0.3008 0.2895
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0759 1 1
Schistosoma mansoni immunophilin 0.0102 0.0892 0.0811
Loa Loa (eye worm) hypothetical protein 0.0102 0.0892 0.0858
Echinococcus granulosus serine protein kinase ATM 0.0144 0.147 0.1439
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.1019 0.1019
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0049 0.0159 0.0123
Schistosoma mansoni immunophilin 0.0118 0.1117 0.1038
Toxoplasma gondii non-specific serine/threonine protein kinase 0.016 0.1697 0.2153
Giardia lamblia GTOR 0.0759 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference

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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