Detailed information for compound 1618284

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 323.392 | Formula: C18H21N5O
  • H donors: 0 H acceptors: 3 LogP: 3.67 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)n1nnc2c1nc(cc2)N1CCCCCC1
  • InChi: 1S/C18H21N5O/c1-24-15-8-6-14(7-9-15)23-18-16(20-21-23)10-11-17(19-18)22-12-4-2-3-5-13-22/h6-11H,2-5,12-13H2,1H3
  • InChiKey: OJFVZRHDFAPBPX-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
Homo sapiens Pim-1 proto-oncogene, serine/threonine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Serine/threonine-protein kinase Pim-3 Get druggable targets OG5_134863 All targets in OG5_134863
Echinococcus multilocularis proto oncogene serine:threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Onchocerca volvulus Serine\/threonine protein kinase homolog Get druggable targets OG5_134863 All targets in OG5_134863
Schistosoma japonicum ko:K04702 proto-oncogene serine/threonine-protein kinase Pim-1, putative Get druggable targets OG5_134863 All targets in OG5_134863
Loa Loa (eye worm) CAMK/PIM protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_134863 All targets in OG5_134863
Echinococcus granulosus proto oncogene serine:threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Loa Loa (eye worm) CAMK/PIM protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
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
Schistosoma mansoni RNA binding protein 0.0025 0.1215 0.1215
Plasmodium vivax hypothetical protein, conserved 0.007 0.3589 0.5
Schistosoma mansoni hypothetical protein 0.007 0.3589 0.3589
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0025 0.1215 0.5
Brugia malayi SWIB/MDM2 domain containing protein 0.007 0.3589 0.2703
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.1215 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.1215 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.1215 0.5
Leishmania major hypothetical protein, conserved 0.0025 0.1215 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0025 0.1215 0.5
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.007 0.3589 1
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.1215 0.5
Leishmania major hypothetical protein, conserved 0.0025 0.1215 0.5
Leishmania major hypothetical protein, conserved 0.0025 0.1215 0.5
Brugia malayi brahma associated protein 60 kDa 0.007 0.3589 0.2703
Schistosoma mansoni fusion 0.0025 0.1215 0.1215
Leishmania major hypothetical protein, conserved 0.0025 0.1215 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0025 0.1215 0.5
Schistosoma mansoni hypothetical protein 0.0025 0.1215 0.1215
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.007 0.3589 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.007 0.3589 0.2703
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.007 0.3589 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0025 0.1215 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.1215 0.5
Schistosoma mansoni hypothetical protein 0.007 0.3589 0.3589
Schistosoma mansoni hypothetical protein 0.007 0.3589 0.3589
Trichomonas vaginalis conserved hypothetical protein 0.007 0.3589 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0025 0.1215 0.5
Chlamydia trachomatis SWIB complex protein 0.007 0.3589 0.5
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.007 0.3589 0.5
Schistosoma mansoni zinc finger protein 0.0025 0.1215 0.1215
Echinococcus granulosus SWI:SNF matrix associated 0.007 0.3589 0.2703
Schistosoma mansoni TRABID protein (C64 family) 0.0025 0.1215 0.1215
Leishmania major hypothetical protein, conserved 0.0025 0.1215 0.5
Loa Loa (eye worm) brahma associated protein 0.007 0.3589 0.2703
Chlamydia trachomatis DNA topoisomerase I 0.007 0.3589 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0025 0.1215 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0025 0.1215 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.007 0.3589 0.2703
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.007 0.3589 0.2703
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.007 0.3589 1
Brugia malayi brahma associated protein 60 kDa 0.007 0.3589 0.2703
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0025 0.1215 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.007 0.3589 0.2703
Onchocerca volvulus 0.007 0.3589 0.2703
Echinococcus multilocularis SWI:SNF matrix associated 0.007 0.3589 0.2703
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0025 0.1215 0.5
Schistosoma mansoni brg-1 associated factor 0.007 0.3589 0.3589
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.007 0.3589 0.2703

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.26 uM Inhibition of PIM1 ChEMBL. 22266039

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.