Detailed information for compound 1448735

Basic information

Technical information
  • TDR Targets ID: 1448735
  • Name: N-(6-bicyclo[2.2.1]heptanyl)-1-ethyl-7-methyl -4-oxo-1,8-naphthyridine-3-carboxamide
  • MW: 325.405 | Formula: C19H23N3O2
  • H donors: 1 H acceptors: 3 LogP: 2.96 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1cc(C(=O)NC2CC3CC2CC3)c(=O)c2c1nc(C)cc2
  • InChi: 1S/C19H23N3O2/c1-3-22-10-15(17(23)14-7-4-11(2)20-18(14)22)19(24)21-16-9-12-5-6-13(16)8-12/h4,7,10,12-13,16H,3,5-6,8-9H2,1-2H3,(H,21,24)
  • InChiKey: OPBKYMMNHHTNEB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-ethyl-7-methyl-N-norbornan-2-yl-4-oxo-1,8-naphthyridine-3-carboxamide
  • 1-ethyl-7-methyl-N-(2-norbornanyl)-4-oxo-1,8-naphthyridine-3-carboxamide
  • 1-ethyl-4-keto-7-methyl-N-(2-norbornyl)-1,8-naphthyridine-3-carboxamide
  • 1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid bicyclo[2.2.1]hept-2-ylamide
  • MLS000029583
  • SMR000003435
  • Oprea1_739692
  • Oprea1_784251
  • ASN 04449036

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0058 0.012 0.1172
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0154 0.0154
Echinococcus granulosus cpg binding protein 0.0037 0.0071 0.0063
Toxoplasma gondii aminopeptidase N, putative 0.0236 0.0521 1
Toxoplasma gondii aminopeptidase n, putative 0.0236 0.0521 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0236 0.0521 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0236 0.0521 0.0513
Schistosoma mansoni aminopeptidase A (M01 family) 0.0236 0.0521 0.0521
Onchocerca volvulus 0.0236 0.0521 1
Brugia malayi hypothetical protein 0.2041 0.4591 1
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0236 0.0521 1
Brugia malayi hypothetical protein 0.0286 0.0633 0.1355
Schistosoma mansoni cpg binding protein 0.0035 0.0067 0.0067
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0236 0.0521 0.0513
Loa Loa (eye worm) hypothetical protein 0.0286 0.0633 0.0621
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0013 0.0005
Onchocerca volvulus 0.0236 0.0521 1
Trypanosoma cruzi aminopeptidase, putative 0.0236 0.0521 0.5
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0236 0.0521 0.5
Toxoplasma gondii aminopeptidase N protein 0.0236 0.0521 1
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0236 0.0521 0.5
Loa Loa (eye worm) peptidase family M1 containing protein 0.0236 0.0521 0.0508
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0236 0.0521 0.0513
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0236 0.0521 0.0521
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0154 0.0146
Trypanosoma brucei Aminopeptidase M1, putative 0.0236 0.0521 0.5
Echinococcus multilocularis cpg binding protein 0.0037 0.0071 0.0063
Loa Loa (eye worm) hypothetical protein 0.0236 0.0521 0.0508
Brugia malayi hypothetical protein 0.0236 0.0521 0.1109
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0154 0.0154
Mycobacterium ulcerans aminopeptidase N PepN 0.0236 0.0521 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.4438 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.0071 0.0071
Onchocerca volvulus 0.0236 0.0521 1
Trypanosoma cruzi aminopeptidase, putative 0.0236 0.0521 0.5
Loa Loa (eye worm) hypothetical protein 0.0236 0.0521 0.0508
Trypanosoma cruzi Aminopeptidase M1, putative 0.0236 0.0521 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0236 0.0521 0.0513
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0236 0.0521 1
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0236 0.0521 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0154 0.5
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.1103 0.1096
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0236 0.0521 0.0513
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0633 0.0625
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0236 0.0521 0.0513
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.4438 1 1
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0236 0.0521 0.5
Entamoeba histolytica aminopeptidase, putative 0.0236 0.0521 0.5
Brugia malayi Peptidase family M1 containing protein 0.0236 0.0521 0.1109
Echinococcus granulosus dnaJ subfamily B 0.0494 0.1103 0.1096
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0236 0.0521 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0071 0.0071
Brugia malayi CXXC zinc finger family protein 0.0035 0.0067 0.0119
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0236 0.0521 0.5
Brugia malayi TATA binding protein associated factor 0.0236 0.0521 0.1109
Trypanosoma brucei aminopeptidase, putative 0.0236 0.0521 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0013 0.0005
Brugia malayi hypothetical protein 0.0236 0.0521 0.1109
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0236 0.0521 1
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0236 0.0521 0.0521
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0067 0.0054
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0154 0.0146
Echinococcus multilocularis aminopeptidase N 0.0236 0.0521 0.0513
Echinococcus granulosus aminopeptidase N 0.0236 0.0521 0.0513
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0236 0.0521 0.0513
Loa Loa (eye worm) TATA binding protein associated factor 0.0236 0.0521 0.0508
Schistosoma mansoni hypothetical protein 0.0494 0.1103 0.1103
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0236 0.0521 0.0521
Mycobacterium ulcerans aminopeptidase N PepN 0.0236 0.0521 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0154 0.0448
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0236 0.0521 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0236 0.0521 0.0513
Brugia malayi Peptidase family M1 containing protein 0.0236 0.0521 0.1109
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0236 0.0521 1
Schistosoma mansoni hypothetical protein 0.0058 0.012 0.012
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0236 0.0521 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.012 0.0235
Brugia malayi Peptidase family M1 containing protein 0.0236 0.0521 0.1109
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0236 0.0521 0.0513
Schistosoma mansoni survival motor neuron protein 0.0058 0.012 0.012
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0236 0.0521 0.0513
Loa Loa (eye worm) aminopeptidase N 0.0236 0.0521 0.0508
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0236 0.0521 0.0513
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0236 0.0521 0.0513
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0236 0.0521 1
Loa Loa (eye worm) hypothetical protein 0.0236 0.0521 0.0508
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0236 0.0521 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0236 0.0521 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0008 0.0008
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0236 0.0521 0.5
Echinococcus multilocularis leukotriene A 4 hydrolase 0.4438 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0633 0.0625
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0155 0.0155
Trypanosoma brucei Aminopeptidase M1, putative 0.0236 0.0521 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2213 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 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

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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