Detailed information for compound 59022

Basic information

Technical information
  • TDR Targets ID: 59022
  • Name: 1-cyclopropyl-4-oxo-7-pyridin-4-ylquinoline-3 -carboxamide
  • MW: 305.331 | Formula: C18H15N3O2
  • H donors: 1 H acceptors: 3 LogP: 2.44 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1cn(C2CC2)c2c(c1=O)ccc(c2)c1ccncc1
  • InChi: 1S/C18H15N3O2/c19-18(23)15-10-21(13-2-3-13)16-9-12(1-4-14(16)17(15)22)11-5-7-20-8-6-11/h1,4-10,13H,2-3H2,(H2,19,23)
  • InChiKey: PPQQBPLWEHIQDR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-cyclopropyl-4-oxo-7-(4-pyridyl)quinoline-3-carboxamide
  • 1-cyclopropyl-4-oxo-7-(4-pyridyl)-3-quinolinecarboxamide
  • 1-cyclopropyl-4-oxo-7-pyridin-4-yl-quinoline-3-carboxamide
  • 1-cyclopropyl-4-keto-7-(4-pyridyl)quinoline-3-carboxamide
  • 1-Cyclopropyl-4-oxo-7-pyridin-4-yl-1,4-dihydro-quinoline-3-carboxylic acid amide
  • AIDS-093019
  • AIDS093019

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 multilocularis Glycoside hydrolase, family 27 0.0179 0.0571 0.0571
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0264 0.1041 0.1487
Entamoeba histolytica glycogen debranching enzyme, putative 0.0379 0.1676 0.5229
Schistosoma mansoni hypothetical protein 0.0236 0.0886 0.1044
Brugia malayi Glycosyl hydrolases family 31 protein 0.0264 0.1041 0.1041
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.0263 0.0263
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.1312 0.6827 0.6827
Schistosoma mansoni hypothetical protein 0.0123 0.0263 0.031
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0106 0.017 1
Trichomonas vaginalis glycoside hydrolases, putative 0.0256 0.0998 0.1462
Trichomonas vaginalis glucosylceramidase, putative 0.0946 0.4805 0.7038
Trichomonas vaginalis glucosylceramidase, putative 0.0868 0.4372 0.6404
Schistosoma mansoni beta-mannosidase 0.013 0.03 0.0353
Echinococcus multilocularis glycogen debranching enzyme 0.0379 0.1676 0.1676
Trypanosoma cruzi hypothetical protein, conserved 0.0628 0.305 1
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.017 0.025
Trichomonas vaginalis conserved hypothetical protein 0.04 0.1789 0.2621
Trichomonas vaginalis glucosylceramidase, putative 0.1312 0.6827 1
Trichomonas vaginalis glucosylceramidase, putative 0.0946 0.4805 0.7038
Trichomonas vaginalis alpha-glucosidase, putative 0.0264 0.1041 0.1524
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0145 0.0388 0.0457
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.1312 0.6827 0.6827
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0179 0.0571 0.0571
Brugia malayi Ceramide glucosyltransferase 0.0735 0.3641 0.3641
Trypanosoma cruzi hypothetical protein, conserved 0.0628 0.305 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0538 0.2555 0.828
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0379 0.1676 0.2455
Trichomonas vaginalis glucosylceramidase, putative 0.1312 0.6827 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0179 0.0571 0.0673
Echinococcus granulosus beta galactosidase 0.0272 0.1086 0.1086
Onchocerca volvulus Glucosylceramidase homolog 0.0946 0.4805 0.6865
Loa Loa (eye worm) alpha-L-fucosidase 0.0632 0.3071 0.3071
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0264 0.1041 0.3023
Trichomonas vaginalis alpha-glucosidase, putative 0.0628 0.305 0.4467
Trichomonas vaginalis glucosylceramidase, putative 0.0868 0.4372 0.6404
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0797 0.3983 0.3983
Brugia malayi Melibiase family protein 0.0145 0.0388 0.0388
Trichomonas vaginalis alpha-glucosidase, putative 0.0628 0.305 0.4467
Loa Loa (eye worm) amylo-alpha-1,6-glucosidase 0.0184 0.0603 0.0603
Loa Loa (eye worm) hypothetical protein 0.0272 0.1086 0.1086
Trypanosoma brucei glucosidase, putative 0.0628 0.305 1
Brugia malayi Beta-glucuronidase precursor 0.0274 0.1096 0.1096
Trichomonas vaginalis glucosylceramidase, putative 0.0946 0.4805 0.7038
Mycobacterium ulcerans 6-phosphofructokinase 0.0106 0.017 0.0428
Brugia malayi 6-phosphofructokinase 0.0106 0.017 0.017
Brugia malayi 6-phosphofructokinase 0.0106 0.017 0.017
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0628 0.305 0.305
Schistosoma mansoni thyroid hormone receptor 0.0133 0.0317 0.0374
Schistosoma mansoni 6-phosphofructokinase 0.0106 0.017 0.0201
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0179 0.0571 0.0673
Trichomonas vaginalis alpha-glucosidase, putative 0.0628 0.305 0.4467
Echinococcus multilocularis thyroid hormone receptor alpha 0.0133 0.0317 0.0317
Trichomonas vaginalis sucrase-isomaltase, putative 0.0538 0.2555 0.3742
Loa Loa (eye worm) 6-phosphofructokinase 0.0106 0.017 0.017
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0179 0.0571 0.0571
Loa Loa (eye worm) 6-phosphofructokinase 0.0106 0.017 0.017
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0106 0.017 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0145 0.0388 0.0457
Trichomonas vaginalis beta-galactosidase, putative 0.04 0.1789 0.2621
Schistosoma mansoni thyroid hormone receptor 0.0133 0.0317 0.0374
Echinococcus multilocularis lysosomal alpha glucosidase 0.1887 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0628 0.305 0.4467
Brugia malayi phosphofructokinase 0.0106 0.017 0.017
Trypanosoma brucei glycosyl hydrolase-like protein 0.0264 0.1041 0.3023
Trichomonas vaginalis glucosylceramidase, putative 0.0946 0.4805 0.7038
Entamoeba histolytica beta-galactosidase, putative 0.027 0.1074 0.3139
Trichomonas vaginalis beta-glucosidase, putative 0.0256 0.0998 0.1462
Schistosoma mansoni alpha-glucosidase 0.1613 0.8486 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.0388 0.0388
Trichomonas vaginalis maltase-glucoamylase, putative 0.0628 0.305 0.4467
Echinococcus multilocularis neutral alpha glucosidase AB 0.0628 0.305 0.305
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1887 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0264 0.1041 0.1524
Trichomonas vaginalis alpha-glucosidase, putative 0.0628 0.305 0.4467
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0083 0.0043 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.1887 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.1312 0.6827 1
Trichomonas vaginalis glucosylceramidase, putative 0.0946 0.4805 0.7038
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0628 0.305 0.4467
Trichomonas vaginalis conserved hypothetical protein 0.0194 0.0658 0.0964
Trichomonas vaginalis alpha-glucosidase, putative 0.0264 0.1041 0.1524
Brugia malayi Glycosyl hydrolases family 31 protein 0.0628 0.305 0.305
Loa Loa (eye worm) hypothetical protein 0.0144 0.0381 0.0381
Loa Loa (eye worm) phosphofructokinase 0.0106 0.017 0.017
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.017 0.025
Trichomonas vaginalis alpha-glucosidase, putative 0.0264 0.1041 0.1524
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.0263 0.0263
Echinococcus granulosus glycogen debranching enzyme 0.0379 0.1676 0.1676
Loa Loa (eye worm) hypothetical protein 0.0272 0.1086 0.1086
Echinococcus multilocularis beta galactosidase 0.0272 0.1086 0.1086
Trichomonas vaginalis glucosylceramidase, putative 0.0946 0.4805 0.7038
Mycobacterium ulcerans alpha-L-fucosidase 0.0797 0.3983 1
Trichomonas vaginalis glycoside hydrolase, putative 0.0495 0.2316 0.3392
Echinococcus granulosus ceramide glucosyltransferase 0.0735 0.3641 0.3641
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.017 0.025
Trichomonas vaginalis maltase-glucoamylase, putative 0.0264 0.1041 0.1524
Schistosoma mansoni alpha glucosidase 0.0628 0.305 0.3594
Brugia malayi hypothetical protein 0.0085 0.0054 0.0054
Echinococcus multilocularis lysosomal alpha glucosidase 0.1887 1 1
Schistosoma mansoni alpha-l-fucosidase 0.0632 0.3071 0.3619
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0106 0.017 0.5
Schistosoma mansoni beta-galactosidase 0.0272 0.1086 0.1279
Echinococcus multilocularis ceramide glucosyltransferase 0.0735 0.3641 0.3641
Loa Loa (eye worm) hypothetical protein 0.0264 0.1041 0.1041
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0797 0.3983 0.3983
Echinococcus granulosus 6 phosphofructokinase 0.0106 0.017 0.017
Trichomonas vaginalis glucosylceramidase, putative 0.1312 0.6827 1
Leishmania major alpha glucosidase II subunit, putative 0.0628 0.305 1
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0379 0.1676 0.2455
Trichomonas vaginalis beta-mannosidase, putative 0.013 0.03 0.0439
Schistosoma mansoni alpha-glucosidase 0.1613 0.8486 1
Loa Loa (eye worm) hypothetical protein 0.0379 0.1676 0.1676
Trichomonas vaginalis phosphofructokinase, putative 0.0106 0.017 0.025
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0264 0.1041 0.3023
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0285 0.1156 0.1156
Trichomonas vaginalis glucosylceramidase, putative 0.1312 0.6827 1
Schistosoma mansoni hypothetical protein 0.0487 0.2273 0.2679
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0379 0.1676 0.1676
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0277 0.1114 0.1632
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0735 0.3641 0.5202
Schistosoma mansoni hypothetical protein 0.0274 0.1095 0.1291
Brugia malayi Alpha-L-fucosidase family protein 0.0632 0.3071 0.3071
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0179 0.0571 0.0673
Trichomonas vaginalis alpha-glucosidase, putative 0.0264 0.1041 0.1524
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0628 0.305 1
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0277 0.1114 0.1632
Loa Loa (eye worm) ceramide glucosyltransferase 0.0735 0.3641 0.3641
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0264 0.1041 0.3023
Brugia malayi manba-prov protein 0.013 0.03 0.03
Leishmania major glycosyl hydrolase-like protein 0.0264 0.1041 0.3023
Toxoplasma gondii Amylo-alpha-1,6-glucosidase 0.0379 0.1676 0.4457
Echinococcus multilocularis 6 phosphofructokinase 0.0106 0.017 0.017
Echinococcus granulosus neutral alpha glucosidase AB 0.0628 0.305 0.305
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0628 0.305 0.4467
Trichomonas vaginalis glucosylceramidase, putative 0.1312 0.6827 1
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0285 0.1156 0.1156
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0179 0.0571 0.0673
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0264 0.1041 0.1524
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0145 0.0388 0.0568
Schistosoma mansoni 6-phosphofructokinase 0.0106 0.017 0.0201
Onchocerca volvulus 0.1344 0.6999 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0628 0.305 1
Schistosoma mansoni ceramide glucosyltransferase 0.0735 0.3641 0.429
Loa Loa (eye worm) beta-glucuronidase 0.0274 0.1096 0.1096
Trichomonas vaginalis glucosylceramidase, putative 0.0946 0.4805 0.7038
Schistosoma mansoni ceramide glucosyltransferase 0.0735 0.3641 0.429
Giardia lamblia 4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase 0.0379 0.1676 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0264 0.1041 0.1524
Plasmodium vivax hypothetical protein, conserved 0.0083 0.0043 0.5

Activities

Activity type Activity value Assay description Source Reference
MED (functional) NA 0 mg kg-1 Minimum effective dose against herpes simplex virus-2 (HSV-2) by oral administration in female mice. ChEMBL. 8388470
MIC (functional) = 4 ug ml-1 In vitro minimum inhibitory concentration against herpes simplex virus-2 (HSV-2) by plaque-reduction assay in vero cells ChEMBL. 8388470
MTD (functional) = 25 mg kg-1 In vivo maximum tolerated dose against herpes simplex virus-2 (HSV-2) by oral administration in female mice ChEMBL. 8388470
MTL (functional) = 25 ug ml-1 In vitro maximum tolerated level against herpes simplex virus-2 (HSV-2) by plaque-reduction assay in vero cells ChEMBL. 8388470

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

1 literature reference was collected for this gene.

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