Detailed information for compound 1430284

Basic information

Technical information
  • TDR Targets ID: 1430284
  • Name: N-[6-(butanoylamino)-4-methylpyridin-3-yl]pyr idine-2-carboxamide
  • MW: 298.34 | Formula: C16H18N4O2
  • H donors: 2 H acceptors: 4 LogP: 1.65 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)Nc1ncc(c(c1)C)NC(=O)c1ccccn1
  • InChi: 1S/C16H18N4O2/c1-3-6-15(21)20-14-9-11(2)13(10-18-14)19-16(22)12-7-4-5-8-17-12/h4-5,7-10H,3,6H2,1-2H3,(H,19,22)(H,18,20,21)
  • InChiKey: KYKZBMYNGWMKLR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[6-(butanoylamino)-4-methyl-3-pyridyl]pyridine-2-carboxamide
  • N-[4-methyl-6-(1-oxobutylamino)-3-pyridyl]-2-pyridinecarboxamide
  • N-(6-butyramido-4-methyl-3-pyridyl)picolinamide
  • N-[6-(butanoylamino)-4-methyl-pyridin-3-yl]pyridine-2-carboxamide
  • ASN 05804073
  • MLS000030157
  • Pyridine-2-carboxylic acid (6-butyrylamino-4-methyl-pyridin-3-yl)-amide
  • SMR000005496
  • ZINC01358346

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.1737 1 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.0986 0.0817
Treponema pallidum phosphoribosylpyrophosphate synthetase 0.0407 0.2322 0.5
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.1737 1 1
Plasmodium vivax SET domain containing protein 0.0006 0.0008 0.0008
Treponema pallidum hypothetical protein 0.0407 0.2322 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0006 0.0008 0.0008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0294 0.0121
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0294 0.0113
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.1737 1 1
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0407 0.2322 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0294 0.0518
Brugia malayi orotate phosphoribosyltransferase family protein 0.0407 0.2322 0.2179
Plasmodium vivax SET domain protein, putative 0.0036 0.0183 0.0183
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0407 0.2322 0.2179
Plasmodium vivax orotate phosphoribosyltransferase, putative 0.0407 0.2322 0.2322
Trichomonas vaginalis Ribose-phosphate pyrophosphokinase, putative 0.0407 0.2322 0.232
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0294 0.0113
Echinococcus granulosus adenine phosphoribosyltransferase 0.0407 0.2322 0.2185
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.1737 1 1
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.1737 1 1
Giardia lamblia Guanine phosphoribosyltransferase 0.1737 1 1
Echinococcus granulosus uridine 5' monophosphate synthase 0.0407 0.2322 0.2185
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0248 0.0248
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.1737 1 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0407 0.2322 0.2179
Loa Loa (eye worm) adenine phosphoribosyltransferase 0.0407 0.2322 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0272 0.0272
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1426 0.5809
Schistosoma mansoni uracil phosphoribosyltransferase 0.0407 0.2322 0.2179
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.1737 1 1
Onchocerca volvulus Adenine phosphoribosyltransferase homolog 0.0407 0.2322 0.2179
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.0986 0.0817
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0183 0.0008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0294 0.0113
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.1737 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0272 0.0272
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0183 0.0183
Onchocerca volvulus 0.0286 0.1626 0.147
Onchocerca volvulus 0.1737 1 1
Plasmodium falciparum orotate phosphoribosyltransferase 0.0407 0.2322 0.2322
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0248 1
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.0986 0.0817
Brugia malayi Pre-SET motif family protein 0.0251 0.1426 0.1266
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.1737 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0294 0.0113
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.1737 1 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0407 0.2322 0.2179
Trichomonas vaginalis ribose-phosphate pyrophosphokinase, putative 0.0407 0.2322 0.232
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1626 0.1623
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0294 0.0121
Brugia malayi Adenine phosphoribosyltransferase 0.0407 0.2322 0.2179
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0272 0.0272
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.1737 1 1
Treponema pallidum adenine phosphoribosyltransferase 0.0407 0.2322 0.5
Toxoplasma gondii orotate phosphoribosyltransferase 0.0407 0.2322 0.2322
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0272 0.0098
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.1737 1 1
Wolbachia endosymbiont of Brugia malayi orotate phosphoribosyltransferase 0.0407 0.2322 0.5
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0407 0.2322 0.2179
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.1737 1 1
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0407 0.2322 0.2179
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0294 0.0113
Echinococcus multilocularis adenine phosphoribosyltransferase 0.0407 0.2322 0.2179
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.1737 1 1
Leishmania major xanthine phosphoribosyltransferase 0.1737 1 1
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0407 0.2322 0.2179
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.1737 1 1
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.133 0.7653 1
Loa Loa (eye worm) acetyltransferase 0.0175 0.0986 0.375
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.1737 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0294 0.0113
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0272 0.0269
Wolbachia endosymbiont of Brugia malayi amidophosphoribosyltransferase 0.0407 0.2322 0.5
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.1737 1 1
Giardia lamblia Adenine phosphoribosyltransferase 0.0407 0.2322 0.2127
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.1737 1 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0272 0.0269
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.1737 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.0957 0.0795
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.133 0.7653 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 2.2387 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) 2.5119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 13.1154 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
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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