Detailed information for compound 786886

Basic information

Technical information
  • TDR Targets ID: 786886
  • Name: ethyl 1-(2,9-dimethyl-1-oxopyrido[5,4-b]indol e-4-carbonyl)piperidine-4-carboxylate
  • MW: 395.452 | Formula: C22H25N3O4
  • H donors: 0 H acceptors: 3 LogP: 1.82 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1CCN(CC1)C(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C
  • InChi: 1S/C22H25N3O4/c1-4-29-22(28)14-9-11-25(12-10-14)20(26)16-13-23(2)21(27)19-18(16)15-7-5-6-8-17(15)24(19)3/h5-8,13-14H,4,9-12H2,1-3H3
  • InChiKey: UATIEOSDRBTCRP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 1-(2,9-dimethyl-1-oxo-pyrido[5,4-b]indole-4-carbonyl)piperidine-4-carboxylate
  • 1-[(2,9-dimethyl-1-oxo-4-pyrido[5,4-b]indolyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester
  • 1-(1-keto-2,9-dimethyl-$b-carboline-4-carbonyl)isonipecotic acid ethyl ester
  • ethyl 1-(2,9-dimethyl-1-oxo-pyrido[5,4-b]indol-4-yl)carbonylpiperidine-4-carboxylate

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
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0287 0.2398
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0104 0.0579 0.2985
Leishmania major fatty-acid desaturase, putative 0.1289 1 1
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0104 0.0579 0.0513
Trypanosoma cruzi fatty acid desaturase, putative 0.1185 0.9174 0.9169
Trypanosoma cruzi fatty acid desaturase, putative 0.1289 1 1
Loa Loa (eye worm) FAT-3 protein 0.0104 0.0579 0.0631
Loa Loa (eye worm) hypothetical protein 0.0249 0.173 0.1886
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0016 0.0275
Loa Loa (eye worm) hypothetical protein 0.0033 0.0016 0.0017
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0104 0.0579 0.0513
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.1185 0.9174 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0254 0.1775 1
Loa Loa (eye worm) hypothetical protein 0.004 0.007 0.0076
Loa Loa (eye worm) hypothetical protein 0.004 0.007 0.0076
Leishmania major fatty acid desaturase, putative 0.0104 0.0579 0.0513
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0104 0.0579 1
Brugia malayi beta-lactamase 0.004 0.007 0.0076
Mycobacterium leprae conserved hypothetical protein 0.004 0.007 0.5
Onchocerca volvulus 0.1289 1 1
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0104 0.0579 0.0513
Echinococcus granulosus Fatty acid desaturase type 1 0.0104 0.0579 0.4834
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.0104 0.0579 0.0513
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.0287 0.4818
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0016 0.0275
Onchocerca volvulus 0.1289 1 1
Toxoplasma gondii ABC1 family protein 0.004 0.007 0.096
Mycobacterium ulcerans electron transfer protein FdxB 0.0104 0.0579 1
Loa Loa (eye worm) fatty acid desaturase 0.0104 0.0579 0.0631
Mycobacterium ulcerans hypothetical protein 0.0104 0.0579 1
Onchocerca volvulus 0.004 0.007 0.0054
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0287 0.0472
Brugia malayi Delta5 fatty acid desaturase 0.0104 0.0579 0.0631
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0104 0.0579 0.0513
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0287 0.4267
Mycobacterium ulcerans hypothetical protein 0.0104 0.0579 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0287 0.4267
Mycobacterium leprae Probable lipase LipE 0.004 0.007 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0182 0.1198 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.007 0.1209
Brugia malayi Pre-SET motif family protein 0.023 0.1583 0.1725
Loa Loa (eye worm) hypothetical protein 0.0067 0.0286 0.0312
Plasmodium vivax hypothetical protein, conserved 0.004 0.007 0.0059
Mycobacterium tuberculosis Probable conserved membrane protein 0.0104 0.0579 0.2985
Loa Loa (eye worm) acyl-CoA desaturase 0.1185 0.9174 1
Leishmania major delta-5 fatty acid desaturase 0.0104 0.0579 0.0513
Brugia malayi beta-lactamase family protein 0.004 0.007 0.0076
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0104 0.0579 1
Loa Loa (eye worm) hypothetical protein 0.004 0.007 0.0076
Trypanosoma cruzi fatty acid desaturase, putative 0.1185 0.9174 0.9169
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0249 0.173 0.1886
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0104 0.0579 0.0513
Loa Loa (eye worm) hypothetical protein 0.004 0.007 0.0076
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0287 0.4267
Leishmania major delta-4 fatty acid desaturase 0.0104 0.0579 0.0513
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0104 0.0579 0.0513
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0016 0.0026
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0104 0.0579 0.4834
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.007 0.0076
Brugia malayi acyl-CoA desaturase 0.1185 0.9174 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.007 0.0115
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0016 0.0275
Leishmania major delta-6 fatty acid desaturase 0.0104 0.0579 0.0513
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.007 0.0584
Loa Loa (eye worm) fatty acid desaturase 0.0104 0.0579 0.0631
Leishmania major fatty acid desaturase, putative 0.0104 0.0579 0.0513
Trypanosoma cruzi fatty acid desaturase, putative 0.0104 0.0579 0.0513
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0104 0.0579 0.0513
Trichomonas vaginalis set domain proteins, putative 0.0262 0.1836 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0104 0.0579 0.0513
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.023 0.1583 0.1725
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0104 0.0579 0.0513
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0104 0.0579 0.2985
Plasmodium falciparum stearoyl-CoA desaturase 0.1185 0.9174 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0532 0.058
Brugia malayi Pre-SET motif family protein 0.0033 0.0016 0.0017
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0104 0.0579 0.0513
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0006 0.0052
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0104 0.0579 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0182 0.1198 0.1968
Loa Loa (eye worm) hypothetical protein 0.0104 0.0579 0.0631
Schistosoma mansoni hypothetical protein 0.0067 0.0286 0.4939
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0104 0.0579 1
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0104 0.0579 0.0951
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0104 0.0579 0.0513
Onchocerca volvulus 0.004 0.007 0.0054
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0532 0.058
Trypanosoma brucei delta-4 fatty acid desaturase 0.0104 0.0579 0.0513
Trypanosoma brucei fatty acid desaturase, putative 0.1289 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0016 0.0275
Onchocerca volvulus 0.0104 0.0579 0.0564
Onchocerca volvulus 0.004 0.007 0.0054
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0104 0.0579 0.0951
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0016 0.0026
Leishmania major delta-12 fatty acid desaturase 0.0104 0.0579 0.0513
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0287 0.496
Brugia malayi beta-lactamase family protein 0.004 0.007 0.0076
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0287 0.496
Brugia malayi Fatty acid desaturase family protein 0.0104 0.0579 0.0631
Loa Loa (eye worm) hypothetical protein 0.004 0.007 0.0076
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.007 0.0076
Onchocerca volvulus 0.0262 0.1836 0.1823
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0104 0.0579 1
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0286 0.0312
Schistosoma mansoni fatty acid desaturase 0.0104 0.0579 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.0287 0.1274
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0016 0.0133
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0104 0.0579 0.0951
Brugia malayi Fatty acid desaturase family protein 0.0104 0.0579 0.0631
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.007 0.1209
Loa Loa (eye worm) beta-lactamase 0.004 0.007 0.0076
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0797 0.6089 1
Loa Loa (eye worm) hypothetical protein 0.004 0.007 0.0076
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.0287 0.0219

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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