Detailed information for compound 1411916

Basic information

Technical information
  • TDR Targets ID: 1411916
  • Name: N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpy rimidin-2-yl)piperidine-4-carboxamide
  • MW: 372.892 | Formula: C20H25ClN4O
  • H donors: 1 H acceptors: 3 LogP: 3.81 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)c1nc(C)cc(n1)C)NCCc1ccc(cc1)Cl
  • InChi: 1S/C20H25ClN4O/c1-14-13-15(2)24-20(23-14)25-11-8-17(9-12-25)19(26)22-10-7-16-3-5-18(21)6-4-16/h3-6,13,17H,7-12H2,1-2H3,(H,22,26)
  • InChiKey: ZBDHZGNCQHZPGG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinecarboxamide
  • N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)isonipecotamide
  • ASN 06578655
  • MLS000709879
  • SMR000287042
  • ZINC04966130

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0033 0.0947 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0132 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.2761 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.2761 0.5116
Entamoeba histolytica hypothetical protein 0.0037 0.1249 1
Brugia malayi hypothetical protein 0.0037 0.1249 0.2315
Schistosoma mansoni lamin 0.0033 0.0947 0.2538
Echinococcus granulosus intermediate filament protein 0.0033 0.0947 0.0826
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.2761 1
Brugia malayi intermediate filament protein 0.0033 0.0947 0.1755
Schistosoma mansoni hypothetical protein 0.0037 0.1249 0.3479
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0132 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0961 0.084
Loa Loa (eye worm) hypothetical protein 0.0071 0.3344 0.6195
Schistosoma mansoni hypothetical protein 0.0033 0.0961 0.2582
Echinococcus multilocularis expressed conserved protein 0.0177 1 1
Schistosoma mansoni lamin 0.0033 0.0947 0.2538
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0961 0.178
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0132 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.2761 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0961 0.178
Entamoeba histolytica hypothetical protein 0.0037 0.1249 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0132 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.2761 0.2664
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.2761 1
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.2761 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0961 0.178
Schistosoma mansoni intermediate filament proteins 0.0033 0.0947 0.2538
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.2761 0.8186
Echinococcus granulosus lamin 0.0033 0.0947 0.0826
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.3344 0.6195
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0947 0.1755
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0132 0.0244
Loa Loa (eye worm) hypothetical protein 0.0033 0.0961 0.178
Echinococcus granulosus GPCR family 2 0.0033 0.0961 0.084
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.2761 0.2664
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.2761 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.2761 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.5397 1
Brugia malayi MAP kinase sur-1 0.0062 0.2761 0.5116
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0132 0.5
Echinococcus multilocularis lamin dm0 0.0033 0.0947 0.0826
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0961 0.084
Onchocerca volvulus 0.0033 0.0947 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.2761 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0961 0.084
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.2761 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.2761 1
Schistosoma mansoni hypothetical protein 0.0071 0.3344 1
Echinococcus multilocularis lamin 0.0033 0.0947 0.0826
Schistosoma mansoni hypothetical protein 0.0033 0.0961 0.2582
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0132 0.5
Echinococcus granulosus lamin dm0 0.0033 0.0947 0.0826
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0961 0.084
Entamoeba histolytica hypothetical protein 0.0037 0.1249 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.2761 1
Entamoeba histolytica hypothetical protein 0.0037 0.1249 1
Schistosoma mansoni hypothetical protein 0.0033 0.0961 0.2582
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.2761 1
Schistosoma mansoni hypothetical protein 0.0033 0.0961 0.2582
Loa Loa (eye worm) hypothetical protein 0.0033 0.0947 0.1755
Echinococcus multilocularis GPCR, family 2 0.0033 0.0961 0.084
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.2761 0.2664
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.5397 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.1249 0.1132
Loa Loa (eye worm) hypothetical protein 0.0032 0.091 0.1685
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.2761 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.1249 0.1132
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.5397 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0947 0.1755
Echinococcus multilocularis musashi 0.0033 0.0947 0.0826
Trypanosoma brucei protein kinase, putative 0.0062 0.2761 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.5397 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0132 0.0244
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.2761 0.2664
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0947 0.1755
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.1249 0.3479

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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