Detailed information for compound 1643608

Basic information

Technical information
  • TDR Targets ID: 1643608
  • Name: N-(1,10-phenanthrolin-2-ylmethyl)-1-(phenylme thyl)pyridin-1-ium-3-carboxamide
  • MW: 405.471 | Formula: C26H21N4O+
  • H donors: 1 H acceptors: 3 LogP: 3.92 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc[n+](c1)Cc1ccccc1)NCc1ccc2c(n1)c1ncccc1cc2
  • InChi: 1S/C26H20N4O/c31-26(22-9-5-15-30(18-22)17-19-6-2-1-3-7-19)28-16-23-13-12-21-11-10-20-8-4-14-27-24(20)25(21)29-23/h1-15,18H,16-17H2/p+1
  • InChiKey: ONWPUNKMLJZDJA-UHFFFAOYSA-O  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,10-phenanthrolin-2-ylmethyl)-1-(phenylmethyl)-3-pyridin-1-iumcarboxamide
  • 1-(benzyl)-N-(1,10-phenanthrolin-2-ylmethyl)pyridin-1-ium-3-carboxamide
  • NSC647716 (BROMIDE SALT)
  • NCI60_016602
  • 1-Benzyl-3-{[(1,10-phenanthrolin-2-ylmethyl)amino]carbonyl}pyridinium bromide
  • AIDS-013015
  • AIDS013015

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 Possible quinone oxidoreductase (NADPH:quinone oxidoreductase) (zeta-crystallin) 0.0019 0.096 0.0812
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0019 0.096 0.0812
Echinococcus granulosus serine:threonine protein kinase Chk2 0.0043 0.2504 1
Mycobacterium ulcerans oxidoreductase 0.0012 0.0503 0.0347
Entamoeba histolytica protein kinase, putative 0.0043 0.2504 1
Mycobacterium ulcerans oxidoreductase 0.0019 0.096 0.0812
Trypanosoma cruzi oxidoreductase, putative 0.0019 0.096 1
Mycobacterium ulcerans quinone reductase Qor 0.0019 0.096 0.0812
Mycobacterium tuberculosis Probable quinone reductase Qor (NADPH:quinone reductase) (zeta-crystallin homolog protein) 0.0019 0.096 0.0812
Schistosoma mansoni alcohol dehydrogenase 0.0157 1 1
Mycobacterium tuberculosis Probable alcohol dehydrogenase Adh 0.0019 0.096 0.0812
Loa Loa (eye worm) plexin A 0.0023 0.1211 0.1066
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0157 1 1
Mycobacterium ulcerans oxidoreductase FadB5 0.0019 0.096 0.0812
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0019 0.096 1
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0157 1 1
Leishmania major oxidoreductase, putative 0.0019 0.096 1
Mycobacterium ulcerans quinone oxidoreductase 0.0019 0.096 0.0812
Mycobacterium tuberculosis Possible dehydrogenase 0.0019 0.096 0.0812
Mycobacterium tuberculosis Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0138 0.8745 0.8724
Loa Loa (eye worm) acyl carrier protein 0.0012 0.0503 0.0347
Brugia malayi plexin A 0.0023 0.1211 0.1066
Loa Loa (eye worm) hypothetical protein 0.0008 0.0237 0.0076
Mycobacterium tuberculosis Probable NADPH quinone oxidoreductase FadB4 (NADPH:quinone reductase) (zeta-crystallin) 0.0019 0.096 0.0812
Brugia malayi Sema domain containing protein 0.0008 0.0237 0.0076
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0019 0.096 0.0812
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0019 0.096 0.0812
Echinococcus multilocularis plexin a4 0.0023 0.1211 0.448
Mycobacterium ulcerans polyketide synthase 0.0019 0.096 0.0812
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0019 0.096 0.0812
Loa Loa (eye worm) hypothetical protein 0.0008 0.0237 0.0076
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0019 0.096 0.5
Brugia malayi Plexin repeat family protein 0.0019 0.0978 0.083
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0157 1 1
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0019 0.096 0.0812
Onchocerca volvulus Putative alcohol dehydrogenase 0.0157 1 1
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0157 1 1
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0019 0.096 0.0812
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0019 0.096 0.3409
Wolbachia endosymbiont of Brugia malayi NADPH:quinone reductase 0.0019 0.096 0.5
Onchocerca volvulus 0.0012 0.0503 0.0273
Mycobacterium tuberculosis Probable oxidoreductase 0.0019 0.096 0.0812
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0019 0.096 1
Trypanosoma brucei Trans-2-enoyl-ACP reductase 2, putative 0.0012 0.0503 0.4279
Leishmania major zinc binding dehydrogenase-like protein 0.0019 0.096 1
Mycobacterium tuberculosis Probable NADP-dependent alcohol dehydrogenase AdhC 0.0019 0.096 0.0812
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase Adh 0.0019 0.096 0.0812
Mycobacterium ulcerans short-chain dehydrogenase 0.0019 0.096 0.0812
Mycobacterium ulcerans NADP-dependent oxidoreductase 0.0012 0.0503 0.0347
Mycobacterium tuberculosis Probable alcohol dehydrogenase AdhA 0.0019 0.096 0.0812
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0019 0.096 0.3409
Loa Loa (eye worm) hypothetical protein 0.0012 0.0503 0.0347
Mycobacterium tuberculosis Possible dehydrogenase 0.0019 0.096 0.0812
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0019 0.096 0.0812
Echinococcus multilocularis semaphorin 5B 0.0008 0.0237 0.0321
Schistosoma mansoni plexin 0.0019 0.0978 0.083
Leishmania major quinone oxidoreductase, putative 0.0019 0.096 1
Schistosoma mansoni hypothetical protein 0.0008 0.0237 0.0076
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0019 0.096 0.0812
Leishmania major zinc-binding dehydrogenase-like protein 0.0012 0.0503 0.4279
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0012 0.0503 0.0347
Loa Loa (eye worm) hypothetical protein 0.0008 0.0237 0.0076
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0019 0.096 0.5
Onchocerca volvulus Fatty acid synthase homolog 0.0012 0.0503 0.0273
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0019 0.096 0.0812
Brugia malayi hypothetical protein 0.0008 0.0237 0.0076
Mycobacterium ulcerans quinone oxidoreductase 0.0019 0.096 0.0812
Mycobacterium ulcerans dehydrogenase 0.0019 0.096 0.0812
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0019 0.096 1
Schistosoma mansoni zinc binding dehydrogenase 0.0019 0.096 0.0812
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0157 1 1
Entamoeba histolytica protein kinase, putative 0.0043 0.2504 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0978 0.083
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0157 1 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0012 0.0503 0.0347
Leishmania major d-xylulose reductase, putative 0.0019 0.096 1
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0019 0.096 0.3834
Echinococcus granulosus plexin a4 0.0023 0.1211 0.448
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0019 0.096 1
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0157 1 1
Trypanosoma cruzi oxidoreductase, putative 0.0019 0.096 1
Trypanosoma cruzi oxidoreductase, putative 0.0012 0.0503 0.4279
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0019 0.096 0.0812
Mycobacterium ulcerans Zn-dependent alcohol dehydrogenase, AdhX 0.0019 0.096 0.0812
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.0043 0.2503 0.9995
Onchocerca volvulus 0.0019 0.0978 0.0759
Loa Loa (eye worm) hypothetical protein 0.0008 0.0237 0.0076
Echinococcus multilocularis hypothetical protein 0.0008 0.0237 0.0321
Loa Loa (eye worm) hypothetical protein 0.0019 0.096 0.0812
Mycobacterium tuberculosis S-nitrosomycothiol reductase MscR 0.0019 0.096 0.0812
Trypanosoma brucei oxidoreductase, putative 0.0019 0.096 1
Mycobacterium tuberculosis Possible oxidoreductase FadB5 0.0019 0.096 0.0812
Loa Loa (eye worm) hypothetical protein 0.0008 0.0237 0.0076
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0019 0.096 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0019 0.096 0.0812
Schistosoma mansoni hypothetical protein 0.0011 0.0446 0.0289
Entamoeba histolytica NADP-dependent alcohol dehydrogenase 0.0019 0.096 0.3834
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0043 0.2504 1
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0157 1 1
Onchocerca volvulus 0.0019 0.096 0.0741
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase (E subunit) AdhE1 0.0138 0.8745 0.8724
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0019 0.096 0.3834
Loa Loa (eye worm) sema domain-containing protein 0.0008 0.0237 0.0076
Trypanosoma brucei oxidoreductase, putative 0.0019 0.096 1
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0019 0.096 1
Leishmania major oxidoreductase-like protein 0.0019 0.096 1
Echinococcus granulosus semaphorin 5B 0.0008 0.0237 0.0321
Brugia malayi hypothetical protein 0.0008 0.0237 0.0076
Toxoplasma gondii quinone oxidoreductase, putative 0.0019 0.096 0.0812
Loa Loa (eye worm) sema domain-containing protein 0.0008 0.0237 0.0076
Loa Loa (eye worm) hypothetical protein 0.0019 0.096 0.0812
Leishmania major nuclear receptor binding factor-like protein 0.0012 0.0503 0.4279
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0019 0.096 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0019 0.096 0.0812
Loa Loa (eye worm) hypothetical protein 0.0019 0.096 0.0812
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.0043 0.2503 0.9995
Echinococcus granulosus semaphorin 1A 0.0008 0.0237 0.0321
Loa Loa (eye worm) hypothetical protein 0.0008 0.0237 0.0076
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0157 1 1
Schistosoma mansoni semaphorin 5-related 0.0008 0.0237 0.0076
Brugia malayi Sema domain containing protein 0.0008 0.0237 0.0076
Mycobacterium ulcerans NADPH quinone oxidoreductase FadB4 0.0019 0.096 0.0812
Loa Loa (eye worm) hypothetical protein 0.0011 0.0446 0.0289
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.2504 0.2381
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0019 0.096 0.5
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase AdhC 0.0019 0.096 0.0812
Schistosoma mansoni hypothetical protein 0.0008 0.0237 0.0076
Schistosoma mansoni plexin 0.0011 0.0446 0.0289

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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