Detailed information for compound 455490

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 401.425 | Formula: C20H19N9O
  • H donors: 3 H acceptors: 5 LogP: 1.21 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1[nH]ccc(c1c1nc2c([nH]1)cc(cc2C)n1cncc1)NCCn1nccn1
  • InChi: 1S/C20H19N9O/c1-13-10-14(28-8-6-21-12-28)11-16-18(13)27-19(26-16)17-15(2-3-23-20(17)30)22-7-9-29-24-4-5-25-29/h2-6,8,10-12H,7,9H2,1H3,(H,26,27)(H2,22,23,30)
  • InChiKey: LRXPUXSXEGNBSG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Plasmodium falciparum hexose transporter Curated by TDR Targets References
Homo sapiens insulin-like growth factor 1 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei hexose transporter Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus multilocularis insulin receptor Get druggable targets OG5_129857 All targets in OG5_129857
Neospora caninum Glucose transporter 1A, related Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum Insulin-like peptide receptor precursor, putative Get druggable targets OG5_129857 All targets in OG5_129857
Echinococcus granulosus solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Brugia malayi Sugar transporter family protein Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma mansoni glucose transport protein Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum Solute carrier family 2, facilitated glucose transporter member 1, putative Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus granulosus solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Candida albicans C terminus is almost identical to CaP19.2865 Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus granulosus insulin receptor Get druggable targets OG5_129857 All targets in OG5_129857
Echinococcus multilocularis solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum Solute carrier family 2, facilitated glucose transporter member 4, putative Get druggable targets OG5_127135 All targets in OG5_127135
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129857 All targets in OG5_129857
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129857 All targets in OG5_129857
Plasmodium knowlesi hexose transporter, putative Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus granulosus solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus granulosus General substrate transporter Get druggable targets OG5_127135 All targets in OG5_127135
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma mansoni glucose transport protein Get druggable targets OG5_127135 All targets in OG5_127135
Candida albicans C terminus is almost identical to CaP19.2865 Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum Insulin-like peptide receptor precursor, putative Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum Solute carrier family 2, facilitated glucose transporter member 3, putative Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum ko:K08252 receptor protein-tyrosine kinase [EC2.7.10.1], putative Get druggable targets OG5_129857 All targets in OG5_129857
Echinococcus multilocularis insulin growth factor 1 receptor beta Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum IPR000494,EGF receptor, L domain,domain-containing Get druggable targets OG5_129857 All targets in OG5_129857
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129857 All targets in OG5_129857
Echinococcus multilocularis solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum IPR008957,Fibronectin, type III-like fold,domain-containing Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_129857 All targets in OG5_129857
Toxoplasma gondii facilitative glucose transporter GT1 Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus multilocularis solute carrier family 2, facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum ko:K07299 MFS transporter, SP family, solute carrier family 2 (facilitated, putative Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum IPR005828,General substrate transporter,domain-containing Get druggable targets OG5_127135 All targets in OG5_127135
Plasmodium falciparum hexose transporter Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus granulosus insulin growth factor 1 receptor beta Get druggable targets OG5_129857 All targets in OG5_129857
Plasmodium vivax hexose transporter Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus granulosus solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum ko:K07191 MFS transporter, SP family, solute carrier family 2 (facilitated, putative Get druggable targets OG5_127135 All targets in OG5_127135
Loa Loa (eye worm) TK/INSR protein kinase Get druggable targets OG5_129857 All targets in OG5_129857
Loa Loa (eye worm) sugar transporter Get druggable targets OG5_127135 All targets in OG5_127135
Candida albicans almost identical to C terminus of CaP19.2425 Get druggable targets OG5_127135 All targets in OG5_127135
Plasmodium yoelii putative sugar transporter Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma mansoni glucose transport protein Get druggable targets OG5_127135 All targets in OG5_127135
Echinococcus multilocularis solute carrier family 2 facilitated glucose Get druggable targets OG5_127135 All targets in OG5_127135
Schistosoma japonicum ko:K04527 insulin receptor, putative Get druggable targets OG5_129857 All targets in OG5_129857
Echinococcus multilocularis General substrate transporter Get druggable targets OG5_127135 All targets in OG5_127135
Candida albicans almost identical to C terminus of CaP19.2425 Get druggable targets OG5_127135 All targets in OG5_127135
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei glucose transporter, putative hexose transporter 504 aa 426 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis epidermal growth factor receptor 0.0072 0.0379 0.0379
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0158 0.3147 0.3147
Schistosoma mansoni thymidylate kinase 0.0372 1 1
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0073 0.0422 0.0422
Echinococcus multilocularis transfer RNA-Ile 0.0327 0.8576 0.8576
Giardia lamblia CDC8 0.0372 1 1
Leishmania major thymidylate kinase-like protein 0.0372 1 1
Schistosoma mansoni hypothetical protein 0.0372 1 1
Schistosoma mansoni tyrosine kinase 0.0072 0.0379 0.0379
Trichomonas vaginalis conserved hypothetical protein 0.0073 0.0422 0.0422
Treponema pallidum thymidylate kinase (tmk) 0.0372 1 0.5
Trypanosoma brucei thymidylate kinase, putative 0.0372 1 0.5
Echinococcus multilocularis thymidine kinase 0.0327 0.8576 0.8576
Echinococcus multilocularis thymidine kinase 0.0327 0.8576 0.8576
Trypanosoma cruzi thymidylate kinase, putative 0.0372 1 1
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.0327 0.8576 0.8576
Echinococcus granulosus NADH ubiquinone oxidoreductase 42 kDa subunit 0.0073 0.0422 0.0422
Brugia malayi Protein kinase domain containing protein 0.0158 0.3147 0.3147
Trypanosoma cruzi thymidylate kinase, putative 0.0372 1 1
Schistosoma mansoni tyrosine kinase 0.0071 0.0338 0.0338
Loa Loa (eye worm) hypothetical protein 0.0086 0.0837 0.0837
Trichomonas vaginalis conserved hypothetical protein 0.0073 0.0422 0.0422
Trichomonas vaginalis thymidylate kinase, putative 0.0372 1 1
Echinococcus multilocularis insulin receptor 0.0158 0.3147 0.3147
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0372 1 0.5
Loa Loa (eye worm) deoxynucleoside kinase 0.0073 0.0422 0.0422
Trichomonas vaginalis conserved hypothetical protein 0.0073 0.0422 0.0422
Schistosoma mansoni tyrosine kinase 0.0072 0.0379 0.0379
Loa Loa (eye worm) TK/EGFR protein kinase 0.0072 0.0379 0.0379
Trichomonas vaginalis conserved hypothetical protein 0.0073 0.0422 0.0422
Plasmodium falciparum thymidylate kinase 0.0372 1 1
Mycobacterium ulcerans thymidylate kinase 0.0372 1 0.5
Plasmodium vivax thymidylate kinase, putative 0.0372 1 1
Echinococcus multilocularis epidermal growth factor receptor 0.0072 0.0379 0.0379
Trichomonas vaginalis thymidylate kinase, putative 0.0372 1 1
Loa Loa (eye worm) thymidylate kinase 0.0372 1 1
Schistosoma mansoni tyrosine kinase 0.0071 0.0338 0.0338
Echinococcus multilocularis NADH ubiquinone oxidoreductase 42 kDa subunit 0.0073 0.0422 0.0422
Schistosoma mansoni thymidylate kinase 0.0372 1 1
Schistosoma mansoni tyrosine kinase 0.0158 0.3147 0.3147
Trypanosoma brucei thymidylate kinase, putative 0.0372 1 0.5
Schistosoma mansoni tyrosine kinase 0.0071 0.0338 0.0338
Echinococcus granulosus thymidine kinase 0.0327 0.8576 0.8576
Echinococcus granulosus epidermal growth factor receptor 0.0072 0.0379 0.0379
Loa Loa (eye worm) TK/INSR protein kinase 0.0158 0.3147 0.3147
Trichomonas vaginalis conserved hypothetical protein 0.0073 0.0422 0.0422
Schistosoma mansoni tyrosine kinase 0.0072 0.0379 0.0379
Echinococcus multilocularis thymidylate kinase 0.0372 1 1
Brugia malayi Furin-like cysteine rich region family protein 0.0072 0.0379 0.0379
Toxoplasma gondii thymidylate kinase 0.0372 1 1
Echinococcus granulosus thymidylate kinase 0.0372 1 1
Echinococcus granulosus thymidine kinase 0.0327 0.8576 0.8576
Echinococcus granulosus epidermal growth factor receptor 0.0072 0.0379 0.0379
Entamoeba histolytica Thymidylate kinase, putative 0.0372 1 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0072 0.0379 0.0379
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0372 1 0.5
Onchocerca volvulus Putative thymidylate kinase 0.0372 1 0.5
Schistosoma mansoni thymidine kinase 0.0327 0.8576 0.8576
Chlamydia trachomatis thymidylate kinase 0.0372 1 0.5
Schistosoma mansoni tyrosine kinase 0.0158 0.3147 0.3147
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0158 0.3147 0.3147
Brugia malayi Deoxynucleoside kinase family protein 0.0073 0.0422 0.0422
Echinococcus granulosus insulin receptor 0.0158 0.3147 0.3147
Brugia malayi Protein kinase domain containing protein 0.0087 0.0878 0.0878
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0372 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.5 uM Inhibition of human recombinant IGF1 receptor ChEMBL. 17317169
IC50 (binding) = 2.5 uM Inhibition of human recombinant IGF1 receptor ChEMBL. 17317169

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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