Detailed information for compound 1648015

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 357.407 | Formula: C18H23N5O3
  • H donors: 1 H acceptors: 3 LogP: 1.72 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCN(c1nc(OC)cc(n1)c1c[nH]c2c1cccn2)CCOC
  • InChi: 1S/C18H23N5O3/c1-24-9-7-23(8-10-25-2)18-21-15(11-16(22-18)26-3)14-12-20-17-13(14)5-4-6-19-17/h4-6,11-12H,7-10H2,1-3H3,(H,19,20)
  • InChiKey: SLDRUGJVYGLHPM-UHFFFAOYSA-N  

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 cell division cycle 7 Starlite/ChEMBL No references
Homo sapiens cyclin-dependent kinase 7 Starlite/ChEMBL No references
Homo sapiens cyclin-dependent kinase 9 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Giardia lamblia Kinase, CDC7 Get druggable targets OG5_129189 All targets in OG5_129189
Candida albicans Serine-threonine kinase, subunit of RNA Pol TFIIK. Get druggable targets OG5_129224 All targets in OG5_129224
Candida albicans CDC2-related protein kinase Get druggable targets OG5_130531 All targets in OG5_130531
Onchocerca volvulus Get druggable targets OG5_129189 All targets in OG5_129189
Schistosoma japonicum ko:K02211 cyclin-dependent kinase 9, putative Get druggable targets OG5_130531 All targets in OG5_130531
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Schistosoma japonicum ko:K02211 cyclin-dependent kinase 9, putative Get druggable targets OG5_130531 All targets in OG5_130531
Candida albicans protein serine/threonine kinase Get druggable targets OG5_129189 All targets in OG5_129189
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Echinococcus multilocularis cyclin dependent kinase 9 Get druggable targets OG5_130531 All targets in OG5_130531
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129189 All targets in OG5_129189
Onchocerca volvulus Get druggable targets OG5_129189 All targets in OG5_129189
Loa Loa (eye worm) CMGC/CDK/CDK9 protein kinase Get druggable targets OG5_130531 All targets in OG5_130531
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129224 All targets in OG5_129224
Echinococcus granulosus cyclin dependent kinase 9 Get druggable targets OG5_130531 All targets in OG5_130531
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase Get druggable targets OG5_129224 All targets in OG5_129224
Schistosoma japonicum ko:K02214 cell division control protein CDC7, putative Get druggable targets OG5_129189 All targets in OG5_129189
Echinococcus multilocularis cyclin dependent kinase 7 Get druggable targets OG5_129224 All targets in OG5_129224
Echinococcus multilocularis cyclin dependent kinase 9 Get druggable targets OG5_130531 All targets in OG5_130531
Echinococcus multilocularis CDC7 cell division cycle 7 Get druggable targets OG5_129189 All targets in OG5_129189
Candida albicans protein serine/threonine kinase Get druggable targets OG5_129189 All targets in OG5_129189
Loa Loa (eye worm) CDC7 protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Brugia malayi cyclin-dependent kinase 9 Get druggable targets OG5_130531 All targets in OG5_130531
Schistosoma japonicum expressed protein Get druggable targets OG5_129224 All targets in OG5_129224
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Brugia malayi cyclin-dependent kinase 7 homolog Get druggable targets OG5_129224 All targets in OG5_129224
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Echinococcus granulosus cyclin dependent kinase 9 Get druggable targets OG5_130531 All targets in OG5_130531
Candida albicans similar ot C terminus of S. cerevisiae SGV1 (YPR161C) Get druggable targets OG5_130531 All targets in OG5_130531
Schistosoma mansoni kinase Get druggable targets OG5_130531 All targets in OG5_130531
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_130531 All targets in OG5_130531
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_130531 All targets in OG5_130531
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
Echinococcus granulosus CDC7 cell division cycle 7 Get druggable targets OG5_129189 All targets in OG5_129189
Candida albicans Serine-threonine kinase, subunit of RNA Pol TFIIK. Get druggable targets OG5_129224 All targets in OG5_129224

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 %
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 9 372 aa 313 aa 31.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Toxoplasma gondii dgat2l1-prov protein 0.0511 1 1
Trichomonas vaginalis CMGC family protein kinase 0.007 0.0102 0.5
Giardia lamblia Kinase, CDC7 0.007 0.0102 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.0645 0.0548
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0511 1 1
Echinococcus multilocularis CDC7 cell division cycle 7 0.007 0.0102 0.1577
Echinococcus granulosus cyclin dependent kinase 7 0.0094 0.0645 1
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0511 1 1
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0511 1 1
Schistosoma mansoni diacylglycerol O-acyltransferase 0.0113 0.1079 0.0987
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0511 1 1
Trypanosoma brucei diacylglycerol acyltransferase, putative 0.0511 1 1
Echinococcus granulosus CDC7 cell division cycle 7 0.007 0.0102 0.1577
Brugia malayi cyclin-dependent kinase 7 homolog 0.0103 0.0857 0.0764
Trichomonas vaginalis CMGC family protein kinase 0.007 0.0102 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.0645 0.0548
Onchocerca volvulus 0.0511 1 1
Schistosoma mansoni hypothetical protein 0.0113 0.1079 0.0987
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0094 0.0645 0.0548
Echinococcus multilocularis cyclin dependent kinase 7 0.0094 0.0645 1
Trichomonas vaginalis CMGC family protein kinase 0.007 0.0102 0.5
Mycobacterium ulcerans hypothetical protein 0.0113 0.1079 0.5
Leishmania major diacylglycerol acyltransferase, putative 0.0511 1 1
Schistosoma mansoni diacylglycerol O-acyltransferase 0.0113 0.1079 0.0987

Activities

Activity type Activity value Assay description Source Reference
Ki (functional) > 5.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK7 ChEMBL. No reference
Ki (functional) > 5.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK9 ChEMBL. No reference
Ki (functional) = 7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC7 ChEMBL. No reference

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

No literature references available for this target.

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