Detailed information for compound 1637029

Basic information

Technical information
  • TDR Targets ID: 1637029
  • Name: 4-morpholin-4-yl-N-[5-[5-(triazol-1-yl)pyridi n-3-yl]-1,3-thiazol-2-yl]pyridin-2-amine
  • MW: 406.464 | Formula: C19H18N8OS
  • H donors: 1 H acceptors: 5 LogP: 1.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O1CCN(CC1)c1ccnc(c1)Nc1ncc(s1)c1cncc(c1)n1nncc1
  • InChi: 1S/C19H18N8OS/c1-2-21-18(10-15(1)26-5-7-28-8-6-26)24-19-22-13-17(29-19)14-9-16(12-20-11-14)27-4-3-23-25-27/h1-4,9-13H,5-8H2,(H,21,22,24)
  • InChiKey: RKJMNPYRJOACTO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-morpholino-N-[5-[5-(triazol-1-yl)-3-pyridyl]thiazol-2-yl]pyridin-2-amine
  • 4-morpholino-N-[5-[5-(1-triazolyl)-3-pyridyl]-2-thiazolyl]-2-pyridinamine
  • (4-morpholino-2-pyridyl)-[5-[5-(triazol-1-yl)-3-pyridyl]thiazol-2-yl]amine
  • 4-morpholin-4-yl-N-[5-[5-(1,2,3-triazol-1-yl)pyridin-3-yl]-1,3-thiazol-2-yl]pyridin-2-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin-dependent kinase 7 Starlite/ChEMBL References
Homo sapiens checkpoint kinase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase Get druggable targets OG5_129224 All targets in OG5_129224
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129224 All targets in OG5_129224
Echinococcus granulosus cyclin dependent kinase 7 Get druggable targets OG5_129224 All targets in OG5_129224
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_130454 All targets in OG5_130454
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase Get druggable targets OG5_130454 All targets in OG5_130454
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129224 All targets in OG5_129224
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_130454 All targets in OG5_130454
Brugia malayi cyclin-dependent kinase 7 homolog Get druggable targets OG5_129224 All targets in OG5_129224
Candida albicans Serine-threonine kinase, subunit of RNA Pol TFIIK. Get druggable targets OG5_129224 All targets in OG5_129224
Schistosoma japonicum expressed protein Get druggable targets OG5_129224 All targets in OG5_129224
Candida albicans Serine-threonine kinase, subunit of RNA Pol TFIIK. Get druggable targets OG5_129224 All targets in OG5_129224
Echinococcus multilocularis cyclin dependent kinase 7 Get druggable targets OG5_129224 All targets in OG5_129224
Schistosoma japonicum Serine/threonine-protein kinase Chk1, putative Get druggable targets OG5_130454 All targets in OG5_130454
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 7 346 aa 311 aa 32.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.108 1 1
Echinococcus multilocularis muscleblind protein 1 0.0161 0.1224 0.1192
Trichomonas vaginalis CMGC family protein kinase 0.108 1 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.1224 0.1192
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.108 1 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.1224 0.1192
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0037 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0212 0.1716 0.1685
Echinococcus multilocularis mitogen activated protein kinase 3 0.108 1 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0873 0.8029 0.8022
Trichomonas vaginalis CMGC family protein kinase 0.108 1 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0037 0.5
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0212 0.1716 0.1685
Echinococcus granulosus microtubule associated protein 2 0.0743 0.6786 0.6774
Echinococcus multilocularis cyclin dependent kinase 7 0.0103 0.0674 0.064
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.108 1 1
Giardia lamblia Kinase, CMGC MAPK 0.108 1 0.5
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.108 1 1
Trypanosoma brucei protein kinase, putative 0.108 1 1
Schistosoma mansoni serine/threonine protein kinase 0.108 1 1
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0103 0.0674 0.064
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.108 1 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.108 1 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0089 0.0537 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.0537 0.0502
Echinococcus multilocularis microtubule associated protein 2 0.0743 0.6786 0.6774
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.0674 0.064
Trichomonas vaginalis CMGC family protein kinase 0.108 1 1
Echinococcus granulosus mitogen activated protein kinase 0.108 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.108 1 1
Brugia malayi cyclin-dependent kinase 7 homolog 0.0103 0.0674 0.064
Echinococcus multilocularis mitogen activated protein kinase 0.108 1 1
Schistosoma mansoni microtubule-associated protein tau 0.0743 0.6786 0.6774
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.108 1 1
Brugia malayi Protein kinase domain containing protein 0.0212 0.1716 0.1685
Brugia malayi Muscleblind-like protein 0.0161 0.1224 0.1192
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.0674 0.064
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.108 1 1
Echinococcus granulosus cyclin dependent kinase 7 0.0103 0.0674 0.064
Trichomonas vaginalis CMGC family protein kinase 0.108 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.108 1 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0089 0.0537 1
Echinococcus granulosus muscleblind protein 0.0161 0.1224 0.1192
Echinococcus multilocularis muscleblind protein 0.0161 0.1224 0.1192
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 9 nM Inhibition of CHK1 by time resolved fluorescence assay ChEMBL. 22365762
IC50 (binding) > 10000 nM Inhibition of CDK7 ChEMBL. 22365762

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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