Detailed information for compound 875570

Basic information

Technical information
  • TDR Targets ID: 875570
  • Name: methyl 3-(azepan-1-ylmethyl)-2-methyl-4-oxo-1 H-quinoline-6-carboxylate
  • MW: 328.405 | Formula: C19H24N2O3
  • H donors: 1 H acceptors: 3 LogP: 3.13 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc2c(c1)c(O)c(c(n2)C)CN1CCCCCC1
  • InChi: 1S/C19H24N2O3/c1-13-16(12-21-9-5-3-4-6-10-21)18(22)15-11-14(19(23)24-2)7-8-17(15)20-13/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,22)
  • InChiKey: BKIUNOMNFGYBIA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(1-azepanylmethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid methyl ester
  • 3-(azepan-1-ylmethyl)-4-keto-2-methyl-1H-quinoline-6-carboxylic acid methyl ester
  • ST076664
  • Oprea1_460685

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
Brugia malayi jmjC domain containing protein 0.0066 0.0531 0.1157
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.0359 1
Loa Loa (eye worm) intermediate filament protein 0.003 0.0054 0.0014
Echinococcus granulosus muscleblind protein 0.0168 0.189 0.1846
Loa Loa (eye worm) glutathione reductase 0.0053 0.0359 0.0576
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0066 0.0531 0.048
Loa Loa (eye worm) hypothetical protein 0.0436 0.5467 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0066 0.0531 0.048
Echinococcus granulosus importin subunit beta 1 0.0032 0.0082 0.0028
Schistosoma mansoni importin beta-1 0.0032 0.0082 0.0028
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.013 0.1387 0.134
Brugia malayi RNA, U transporter 1 0.0092 0.0879 0.1999
Plasmodium falciparum thioredoxin reductase 0.0053 0.0359 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0135 0.1448 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0373 0.0773
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.021 0.2455 0.2414
Echinococcus granulosus lysine specific demethylase 5A 0.0066 0.0531 0.048
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0066 0.0531 0.048
Leishmania major trypanothione reductase 0.0053 0.0359 1
Brugia malayi hypothetical protein 0.0036 0.0131 0.0186
Echinococcus multilocularis muscleblind protein 0.0168 0.189 0.1846
Brugia malayi Thioredoxin reductase 0.0053 0.0359 0.0738
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0346 0.4266 0.7785
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0 0.5
Brugia malayi jmjC domain containing protein 0.0066 0.0531 0.1157
Entamoeba histolytica hypothetical protein 0.0026 0 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0135 0.1448 1
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0321 0.393 0.3898
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0121 0.1267 0.8718
Loa Loa (eye worm) hypothetical protein 0.034 0.4182 0.763
Loa Loa (eye worm) hypothetical protein 0.0032 0.0082 0.0065
Echinococcus granulosus adam 17 protease 0.0228 0.2694 0.2655
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0098 0.0957 0.0908
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.0359 1
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0098 0.0957 0.2187
Echinococcus multilocularis adam 17 protease 0.0208 0.2418 0.2377
Loa Loa (eye worm) hypothetical protein 0.0266 0.3196 0.581
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0098 0.0957 0.0908
Schistosoma mansoni hypothetical protein 0.0191 0.2191 0.2149
Mycobacterium tuberculosis Probable reductase 0.0121 0.1267 0.8718
Echinococcus multilocularis survival motor neuron protein 1 0.0266 0.3196 0.3159
Echinococcus granulosus survival motor neuron protein 1 0.0266 0.3196 0.3159
Plasmodium falciparum glutathione reductase 0.0053 0.0359 1
Echinococcus multilocularis muscleblind protein 1 0.0168 0.189 0.1846
Brugia malayi glutathione reductase 0.0053 0.0359 0.0738
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.013 0.1387 0.134
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0029 0.0039 0.5
Loa Loa (eye worm) hypothetical protein 0.03 0.3645 0.6639
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0036 0.0131 0.0077
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0098 0.0957 0.0908
Schistosoma mansoni jumonji/arid domain-containing protein 0.0066 0.0531 0.048
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0121 0.1267 0.8718
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0121 0.1267 0.8718
Brugia malayi Muscleblind-like protein 0.0168 0.189 0.4447
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0082 0.0028
Loa Loa (eye worm) hypothetical protein 0.003 0.0054 0.0014
Schistosoma mansoni jumonji/arid domain-containing protein 0.0066 0.0531 0.048
Echinococcus multilocularis adam 0.0036 0.0131 0.0077
Schistosoma mansoni microtubule-associated protein tau 0.0776 1 1
Brugia malayi Importin beta-1 subunit 0.0032 0.0082 0.0068
Loa Loa (eye worm) jmjC domain-containing protein 0.0066 0.0531 0.0895
Onchocerca volvulus 0.0054 0.0373 0.0773
Schistosoma mansoni survival motor neuron protein 0.0054 0.0373 0.0321
Brugia malayi hypothetical protein 0.034 0.4182 1
Trichomonas vaginalis importin beta-1, putative 0.0026 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0329 0.4035 0.7358
Onchocerca volvulus 0.034 0.4182 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0135 0.1448 1
Echinococcus multilocularis microtubule associated protein 2 0.0776 1 1
Trypanosoma brucei trypanothione reductase 0.0053 0.0359 1
Echinococcus granulosus snurportin 1 0.0346 0.4266 0.4235
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0121 0.1267 0.8718
Loa Loa (eye worm) hypothetical protein 0.0168 0.189 0.3401
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0054 0.0014
Echinococcus granulosus adam 0.0036 0.0131 0.0077
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.0359 0.0306
Loa Loa (eye worm) hypothetical protein 0.0168 0.189 0.3401
Schistosoma mansoni hypothetical protein 0.0191 0.2191 0.2149
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0135 0.1448 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0121 0.1267 0.8718
Plasmodium vivax glutathione reductase, putative 0.0053 0.0359 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.0359 0.0306
Schistosoma mansoni hypothetical protein 0.0054 0.0373 0.0321
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0208 0.2418 0.2377
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.0359 0.0576
Toxoplasma gondii thioredoxin reductase 0.0053 0.0359 1
Echinococcus granulosus geminin 0.0191 0.2191 0.2149
Schistosoma mansoni hypothetical protein 0.0346 0.4266 0.4235
Loa Loa (eye worm) hypothetical protein 0.0218 0.2559 0.4635
Echinococcus multilocularis geminin 0.0191 0.2191 0.2149
Brugia malayi hypothetical protein 0.0266 0.3196 0.7611
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.0359 0.2268
Echinococcus multilocularis snurportin 1 0.0346 0.4266 0.4235
Schistosoma mansoni jumonji domain containing protein 0.0066 0.0531 0.048

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.
 
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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