Detailed information for compound 862811

Basic information

Technical information
  • TDR Targets ID: 862811
  • Name: N-(pyridin-2-ylmethyl)-2-thiophen-2-ylquinoli ne-4-carboxamide
  • MW: 345.418 | Formula: C20H15N3OS
  • H donors: 1 H acceptors: 3 LogP: 3.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc(nc2c1cccc2)c1cccs1)NCc1ccccn1
  • InChi: 1S/C20H15N3OS/c24-20(22-13-14-6-3-4-10-21-14)16-12-18(19-9-5-11-25-19)23-17-8-2-1-7-15(16)17/h1-12H,13H2,(H,22,24)
  • InChiKey: OAGRGRVCUAYVJO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-pyridylmethyl)-2-(2-thienyl)quinoline-4-carboxamide
  • N-(2-pyridylmethyl)-2-(2-thienyl)-4-quinolinecarboxamide
  • N-(2-pyridylmethyl)-2-(2-thienyl)cinchoninamide
  • N-(pyridin-2-ylmethyl)-2-thiophen-2-yl-quinoline-4-carboxamide
  • ZINC00200539
  • IVK/9205879
  • EU-0089303

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
Mycobacterium tuberculosis Conserved protein 0.0035 0.0944 0.0903
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0944 0.0903
Trichomonas vaginalis interferon-induced GTP-binding protein mx, putative 0.0187 0.8145 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0944 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1236 0.0405
Loa Loa (eye worm) hypothetical protein 0.0033 0.0854 0.0968
Trypanosoma brucei dynamin-1-like protein 0.0187 0.8145 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.037 0.3277
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0944 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1069
Loa Loa (eye worm) DRP-1 protein 0.0187 0.8145 0.9226
Echinococcus multilocularis dynamin 0.0187 0.8145 0.9226
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0944 0.1069
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1591 0.1802
Brugia malayi beta-lactamase family protein 0.0035 0.0944 0.1069
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.037 0.3277
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0944 0.1069
Echinococcus multilocularis muscleblind protein 0.0145 0.6159 0.6976
Entamoeba histolytica dynamin-like protein 0.0187 0.8145 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.0944 1
Onchocerca volvulus 0.0035 0.0944 1
Entamoeba histolytica dynamin-1-like protein, putative 0.0057 0.1949 0.203
Brugia malayi AMP-binding enzyme family protein 0.0023 0.037 0.0419
Brugia malayi AMP-binding enzyme family protein 0.0023 0.037 0.0419
Schistosoma mansoni dynamin 0.0187 0.8145 0.9226
Loa Loa (eye worm) hypothetical protein 0.0017 0.0091 0.0103
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0944 0.1069
Trichomonas vaginalis dynamin, putative 0.0187 0.8145 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.037 0.3277
Echinococcus multilocularis muscleblind protein 1 0.0145 0.6159 0.6976
Brugia malayi beta-lactamase family protein 0.0035 0.0944 0.1069
Mycobacterium tuberculosis Conserved protein 0.0035 0.0944 0.0903
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0854 0.0968
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0944 0.1069
Trypanosoma brucei dynamin-1-like protein 0.0187 0.8145 1
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0944 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.1679 0.1902
Schistosoma mansoni hypothetical protein 0.004 0.1165 0.1319
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.3859 0.4371
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1069
Echinococcus multilocularis dynamin 1 0.0201 0.8829 1
Plasmodium vivax dynamin-like protein, putative 0.0187 0.8145 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0944 0.1069
Echinococcus granulosus expressed conserved protein 0.0091 0.358 0.4055
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0944 0.0903
Onchocerca volvulus 0.0035 0.0944 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0944 0.106
Loa Loa (eye worm) hypothetical protein 0.0145 0.6159 0.6976
Leishmania major hypothetical protein, conserved 0.0035 0.0944 0.0738
Mycobacterium ulcerans hypothetical protein 0.0023 0.037 0.3277
Schistosoma mansoni hypothetical protein 0.004 0.1165 0.1319
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0944 0.0903
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1069
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0944 0.1069
Echinococcus granulosus muscleblind protein 0.0145 0.6159 0.6976
Schistosoma mansoni hypothetical protein 0.0033 0.0854 0.0968
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.3859 0.4371
Loa Loa (eye worm) hypothetical protein 0.0017 0.0091 0.0103
Trichomonas vaginalis mgm1, putative 0.0187 0.8145 1
Trichomonas vaginalis dynamin, putative 0.0187 0.8145 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1069
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1591 0.1802
Schistosoma mansoni hypothetical protein 0.004 0.1165 0.1319
Brugia malayi AMP-binding enzyme family protein 0.0023 0.037 0.0419
Loa Loa (eye worm) beta-lactamase 0.0035 0.0944 0.1069
Toxoplasma gondii dynamin-related protein DRPA 0.0187 0.8145 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.037 0.0419
Mycobacterium ulcerans hypothetical protein 0.0035 0.0944 1
Schistosoma mansoni hypothetical protein 0.004 0.1165 0.1319
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0091 0.0045
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.5831 0.6604
Mycobacterium tuberculosis Conserved protein 0.0035 0.0944 0.0903
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1069
Loa Loa (eye worm) hypothetical protein 0.0023 0.037 0.0419
Brugia malayi beta-lactamase 0.0035 0.0944 0.1069
Giardia lamblia Dynamin 0.0187 0.8145 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.037 0.0326
Loa Loa (eye worm) hypothetical protein 0.0201 0.8829 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1591 0.1802
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.5831 0.6604
Echinococcus granulosus dynamin 0.0187 0.8145 0.9226
Trypanosoma cruzi dynamin-1-like protein 0.0187 0.8145 1
Brugia malayi Muscleblind-like protein 0.0145 0.6159 0.6976
Schistosoma mansoni patched 1 0.0042 0.1236 0.14
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.1236 0.14
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.3859 0.4371
Trichomonas vaginalis dynamin, putative 0.0187 0.8145 1
Brugia malayi CHE-14 protein 0.0042 0.1236 0.14
Plasmodium falciparum dynamin-like protein 0.0187 0.8145 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.3859 0.4371
Echinococcus granulosus Protein patched homolog 1 0.0042 0.1236 0.14
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.037 0.3277
Loa Loa (eye worm) hypothetical protein 0.0049 0.1591 0.1802
Echinococcus multilocularis protein patched 0.0042 0.1236 0.14
Loa Loa (eye worm) hypothetical protein 0.0042 0.1236 0.14
Brugia malayi Dynamin 0.0201 0.8829 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0091 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.037 0.3277
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.037 0.0326
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.037 0.3277
Echinococcus multilocularis dynamin 1 protein 0.0187 0.8145 0.9226
Echinococcus multilocularis expressed conserved protein 0.0091 0.358 0.4055
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0944 0.0903
Brugia malayi Dynamin central region family protein 0.0187 0.8145 0.9226
Echinococcus granulosus dynamin 1 protein 0.0187 0.8145 0.9226
Loa Loa (eye worm) hypothetical protein 0.0017 0.0091 0.0103
Plasmodium vivax dynamin protein, putative 0.0187 0.8145 1
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0944 0.0903
Trichomonas vaginalis dynamin, putative 0.0187 0.8145 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.3859 0.4487
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0944 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0091 0.0103
Plasmodium falciparum dynamin-like protein 0.0187 0.8145 1
Onchocerca volvulus 0.0035 0.0944 1
Echinococcus multilocularis protein dispatched 1 0.0047 0.1514 0.1715
Toxoplasma gondii dynamin gtpase 0.0123 0.5116 0.5793
Schistosoma mansoni dynamin 0.0201 0.8829 1
Leishmania major GTP-binding protein, putative 0.0187 0.8145 1
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0944 0.0903
Entamoeba histolytica dynamin-1-like protein, putative 0.0187 0.8145 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0944 0.0903
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.393 0.4451
Loa Loa (eye worm) hypothetical protein 0.0145 0.6159 0.6976
Echinococcus granulosus dynamin 1 0.0201 0.8829 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.0944 1
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.1236 0.14
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1069
Trichomonas vaginalis dynamin, putative 0.0187 0.8145 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0091 0.0103
Loa Loa (eye worm) hypothetical protein 0.0023 0.037 0.0419
Toxoplasma gondii dynamin-related protein DRPB 0.0187 0.8145 1
Brugia malayi Dynamin 0.0201 0.8829 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.1236 0.14
Trichomonas vaginalis dynamin, putative 0.0187 0.8145 1
Schistosoma mansoni dynamin 0.0201 0.8829 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.037 0.3277

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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