Detailed information for compound 1452790

Basic information

Technical information
  • TDR Targets ID: 1452790
  • Name: N-[6-(cyclohexanecarbonylamino)-4-methylpyrid in-3-yl]pyridine-2-carboxamide
  • MW: 338.404 | Formula: C19H22N4O2
  • H donors: 2 H acceptors: 4 LogP: 2.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCCC1)Nc1ncc(c(c1)C)NC(=O)c1ccccn1
  • InChi: 1S/C19H22N4O2/c1-13-11-17(23-18(24)14-7-3-2-4-8-14)21-12-16(13)22-19(25)15-9-5-6-10-20-15/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,22,25)(H,21,23,24)
  • InChiKey: ZUMOBHYGCJNUGK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridyl]pyridine-2-carboxamide
  • N-[6-[(cyclohexyl-oxomethyl)amino]-4-methyl-3-pyridyl]-2-pyridinecarboxamide
  • N-[6-(cyclohexanecarbonylamino)-4-methyl-3-pyridyl]picolinamide
  • N-[6-(cyclohexylcarbonylamino)-4-methyl-pyridin-3-yl]pyridine-2-carboxamide
  • SMR000289013
  • ASN 05803923
  • MLS000707946

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus 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
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
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 multilocularis musashi 0.0033 0.0218 0.0537
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0138 0.0319
Schistosoma mansoni lamin 0.0033 0.0218 0.0321
Toxoplasma gondii isocitrate dehydrogenase 0.0084 0.0736 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0315 0.3087 0.7592
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0118 0.0077
Brugia malayi RNA recognition motif domain containing protein 0.0412 0.4066 0.4037
Brugia malayi N-terminal motif family protein 0.0182 0.1731 0.169
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0118 0.5
Echinococcus multilocularis tar DNA binding protein 0.0412 0.4066 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0084 0.0736 0.181
Loa Loa (eye worm) hypothetical protein 0.0681 0.68 0.6787
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0084 0.0736 1
Schistosoma mansoni lamin 0.0033 0.0218 0.0321
Echinococcus granulosus GPCR family 2 0.0315 0.3087 0.7592
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0065 0.0016
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0084 0.0736 0.181
Echinococcus granulosus lamin dm0 0.0033 0.0218 0.0537
Loa Loa (eye worm) hypothetical protein 0.0032 0.0212 0.0172
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0118 0.5
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0047 0.0116
Leishmania major hypothetical protein, conserved 0.0025 0.0138 0.0319
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0118 0.0291
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0084 0.0736 0.181
Loa Loa (eye worm) hypothetical protein 0.0033 0.0218 0.0178
Brugia malayi Isocitrate dehydrogenase 0.0084 0.0736 0.069
Brugia malayi TAR-binding protein 0.0412 0.4066 0.4037
Schistosoma mansoni ap endonuclease 0.0023 0.0118 0.0174
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0997 1 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.1731 0.1697
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0065 0.0024
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0138 0.0319
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0084 0.0736 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0084 0.0736 0.1082
Schistosoma mansoni ap endonuclease 0.0023 0.0118 0.0174
Schistosoma mansoni intermediate filament proteins 0.0033 0.0218 0.0321
Brugia malayi hypothetical protein 0.0025 0.0138 0.0089
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0315 0.3087 0.7592
Loa Loa (eye worm) latrophilin receptor protein 2 0.0315 0.3087 0.3059
Echinococcus multilocularis isocitrate dehydrogenase 0.0084 0.0736 0.181
Loa Loa (eye worm) hypothetical protein 0.0315 0.3087 0.3059
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0138 0.0319
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0118 0.5
Schistosoma mansoni tar DNA-binding protein 0.0412 0.4066 0.598
Loa Loa (eye worm) hypothetical protein 0.0016 0.0047 0.0006
Schistosoma mansoni tar DNA-binding protein 0.0412 0.4066 0.598
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0084 0.0736 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0047 0.0116
Echinococcus granulosus lamin 0.0033 0.0218 0.0537
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0118 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0084 0.0736 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0084 0.0736 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0118 0.0291
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0118 0.5
Schistosoma mansoni hypothetical protein 0.0681 0.68 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0138 0.0097
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0084 0.0736 1
Schistosoma mansoni tar DNA-binding protein 0.0412 0.4066 0.598
Loa Loa (eye worm) hypothetical protein 0.0997 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0218 0.017
Brugia malayi Latrophilin receptor protein 2 0.0315 0.3087 0.3053
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0412 0.4066 0.4042
Schistosoma mansoni hypothetical protein 0.0315 0.3087 0.454
Schistosoma mansoni tar DNA-binding protein 0.0412 0.4066 0.598
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0138 0.0319
Schistosoma mansoni hypothetical protein 0.0315 0.3087 0.454
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0084 0.0736 1
Echinococcus multilocularis GPCR, family 2 0.0315 0.3087 0.7592
Echinococcus multilocularis lamin 0.0033 0.0218 0.0537
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0138 0.0319
Brugia malayi Calcitonin receptor-like protein seb-1 0.0997 1 1
Loa Loa (eye worm) RNA binding protein 0.0412 0.4066 0.4042
Echinococcus granulosus intermediate filament protein 0.0033 0.0218 0.0537
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0118 0.5
Echinococcus multilocularis lamin dm0 0.0033 0.0218 0.0537
Brugia malayi isocitrate dehydrogenase 0.0084 0.0736 0.069
Loa Loa (eye worm) isocitrate dehydrogenase 0.0084 0.0736 0.0697
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0218 0.0178
Schistosoma mansoni tar DNA-binding protein 0.0412 0.4066 0.598
Echinococcus granulosus tar DNA binding protein 0.0412 0.4066 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0084 0.0736 0.181
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0315 0.3087 0.7592
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0118 0.0069
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0084 0.0736 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0315 0.3087 0.3053
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0138 0.0319
Brugia malayi intermediate filament protein 0.0033 0.0218 0.017
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0118 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0084 0.0736 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0218 0.0178
Schistosoma mansoni hypothetical protein 0.0315 0.3087 0.454
Schistosoma mansoni hypothetical protein 0.0315 0.3087 0.454
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0138 0.0319
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0182 0.1731 1
Brugia malayi latrophilin 2 splice variant baaae 0.0681 0.68 0.6785
Brugia malayi RNA binding protein 0.0412 0.4066 0.4037
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0084 0.0736 0.181
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0315 0.3087 0.7592
Loa Loa (eye worm) TAR-binding protein 0.0412 0.4066 0.4042

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0224 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 58.4789 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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