Detailed information for compound 322277

Basic information

Technical information
  • TDR Targets ID: 322277
  • Name: N-(3-aminopropyl)isoquinoline-3-carboxamide
  • MW: 229.278 | Formula: C13H15N3O
  • H donors: 2 H acceptors: 2 LogP: 1.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCNC(=O)c1ncc2c(c1)cccc2
  • InChi: 1S/C13H15N3O/c14-6-3-7-15-13(17)12-8-10-4-1-2-5-11(10)9-16-12/h1-2,4-5,8-9H,3,6-7,14H2,(H,15,17)
  • InChiKey: CUDZJYISWMFELV-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(3-aminopropyl)-3-isoquinolinecarboxamide
  • N-(3-azanylpropyl)isoquinoline-3-carboxamide
  • 3-Isoquinolinecarboxamide, N-(3-aminopropyl)-
  • AIDS-334844
  • AIDS334844

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
Trypanosoma cruzi isoleucyl-tRNA synthetase, putative 0.0453 0.4702 1
Treponema pallidum isoleucyl-tRNA synthetase 0.0453 0.4702 1
Wolbachia endosymbiont of Brugia malayi isoleucyl-tRNA synthetase 0.0453 0.4702 0.6987
Onchocerca volvulus 0.0341 0.2738 1
Loa Loa (eye worm) hypothetical protein 0.0341 0.2738 0.5824
Schistosoma mansoni isoleucine--tRNA ligase 0.0453 0.4702 1
Mycobacterium leprae isoleucyl-tRNA synthetase IleS 0.0453 0.4702 0.6987
Mycobacterium tuberculosis Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA glycosylase) 0.0568 0.673 1
Chlamydia trachomatis isoleucine--tRNA ligase 0.0453 0.4702 1
Echinococcus granulosus isoleucyl trna synthetase mitochondrial 0.0341 0.2738 0.5824
Plasmodium vivax isoleucine--tRNA ligase, putative 0.0453 0.4702 1
Echinococcus multilocularis isoleucyl tRNA synthetase, mitochondrial 0.0341 0.2738 0.5824
Mycobacterium tuberculosis Possible DNA glycosylase 0.0568 0.673 1
Loa Loa (eye worm) hypothetical protein 0.0191 0.0098 0.0208
Trichomonas vaginalis leucyl-tRNA synthetase, putative 0.0266 0.1404 0.2987
Giardia lamblia Isoleucyl-tRNA synthetase 0.0453 0.4702 1
Brugia malayi leucyl-tRNA synthetase 0.0266 0.1404 0.2987
Leishmania major leucyl-tRNA synthetase, putative 0.0266 0.1404 0.2987
Entamoeba histolytica leucyl-tRNA synthetase, putative 0.0266 0.1404 0.2987
Schistosoma mansoni leucyl-tRNA synthetase 0.0266 0.1404 0.2987
Trypanosoma brucei isoleucyl-tRNA synthetase, putative 0.0453 0.4702 1
Trypanosoma brucei leucyl-tRNA synthetase, putative 0.0266 0.1404 0.2987
Toxoplasma gondii leucyl-tRNA synthetase 0.0266 0.1404 0.2987
Mycobacterium ulcerans isoleucyl-tRNA synthetase 0.0453 0.4702 0.6987
Plasmodium vivax hypothetical protein, conserved 0.0266 0.1404 0.2987
Echinococcus multilocularis isoleucyl tRNA synthetase, cytoplasmic 0.0453 0.4702 1
Wolbachia endosymbiont of Brugia malayi formamidopyrimidine-DNA glycosylase 0.0568 0.673 1
Plasmodium falciparum isoleucine--tRNA ligase, putative 0.0453 0.4702 0.4702
Mycobacterium leprae Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA GLYCOSYLASE) 0.0568 0.673 1
Schistosoma mansoni isoleucine--tRNA ligase 0.0453 0.4702 1
Leishmania major isoleucyl-tRNA synthetase, putative 0.0453 0.4702 1
Mycobacterium tuberculosis Isoleucyl-tRNA synthetase IleS 0.0267 0.1431 0.2127
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.0568 0.673 1
Plasmodium falciparum leucine--tRNA ligase, putative 0.0266 0.1404 0.1404
Entamoeba histolytica isoleucyl-tRNA synthetase, putative 0.0453 0.4702 1
Trichomonas vaginalis isoleucyl tRNA synthetase, putative 0.0453 0.4702 1
Loa Loa (eye worm) isoleucyl-tRNA synthetase 0.0453 0.4702 1
Brugia malayi isoleucyl-tRNA synthetase 0.0453 0.4702 1
Echinococcus multilocularis leucyl tRNA synthetase 0.0266 0.1404 0.2987
Toxoplasma gondii isoleucyl-tRNA synthetase family protein 0.0453 0.4702 1
Brugia malayi isoleucyl-tRNA synthetase family protein 0.0453 0.4702 1
Loa Loa (eye worm) hypothetical protein 0.0453 0.4702 1
Echinococcus granulosus leucyl tRNA synthetase 0.0266 0.1404 0.2987
Trypanosoma cruzi leucyl-tRNA synthetase, putative 0.0266 0.1404 0.2987
Mycobacterium ulcerans formamidopyrimidine-DNA glycosylase 0.0568 0.673 1
Echinococcus granulosus isoleucyl tRNA synthetase, cytoplasmic 0.0453 0.4702 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 8.74 uM Effective concentration required to inhibit SIV induced syncytium in CEM174 cells ChEMBL. 16039124
Inhibition (functional) = 58.7 % Percent inhibition of SIV-induced syncytium in CEM174 cells ChEMBL. 16039124
K (binding) = 15400 Binding constant of the compound to TAR at 1.107e-4 M concentration ChEMBL. 16039124

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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