Detailed information for compound 2027736

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 333.452 | Formula: C16H23N5OS
  • H donors: 0 H acceptors: 3 LogP: 1.84 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1nccs1)C(=O)CN1CCCC1c1c(C)nn(c1C)C
  • InChi: 1S/C16H23N5OS/c1-11-15(12(2)20(4)18-11)13-6-5-8-21(13)10-14(22)19(3)16-17-7-9-23-16/h7,9,13H,5-6,8,10H2,1-4H3
  • InChiKey: WXPOHQXZNFUSOL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) hypothetical protein 0.0421 0.1726 0.1726
Schistosoma mansoni serine/threonine protein kinase 0.0448 0.1945 0.8658
Brugia malayi Cyclin, N-terminal domain containing protein 0.0313 0.0857 0.0857
Giardia lamblia Kinase, CMGC CDK 0.0393 0.1501 0.7415
Echinococcus granulosus cyclins 0.0313 0.0857 0.3815
Echinococcus multilocularis cyclin dependent kinase 0.0393 0.1501 0.6685
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0421 0.1726 1
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0287 0.0648 0.2883
Onchocerca volvulus 0.0421 0.1726 0.5
Loa Loa (eye worm) hypothetical protein 0.0379 0.1387 0.1387
Trichomonas vaginalis cyclin B, putative 0.0421 0.1726 1
Trichomonas vaginalis cyclins, putative 0.0421 0.1726 1
Schistosoma mansoni g1/s-specific cyclin C 0.0485 0.2246 1
Echinococcus granulosus cyclin dependent kinase 7 0.0448 0.1945 0.8658
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0393 0.1501 1
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0313 0.0857 0.3815
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0393 0.1501 0.1501
Trichomonas vaginalis cyclins, putative 0.0313 0.0857 0.496
Brugia malayi cell division control protein 2 homolog 0.0393 0.1501 0.1501
Echinococcus multilocularis cyclin dependent kinase 7 0.0448 0.1945 0.8658
Schistosoma mansoni cyclins 0.0313 0.0857 0.3815
Loa Loa (eye worm) cyclin domain-containing protein 0.0313 0.0857 0.0857
Echinococcus multilocularis cyclins 0.0313 0.0857 0.3815
Plasmodium vivax protein kinase Crk2 0.0393 0.1501 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0393 0.1501 0.8697
Schistosoma mansoni serine/threonine protein kinase 0.0393 0.1501 0.6685
Leishmania major cyclin 0.0421 0.1726 1
Echinococcus multilocularis cyclin b3 0.0313 0.0857 0.3815
Trypanosoma cruzi cyclin, putative 0.0421 0.1726 1
Trichomonas vaginalis cyclin A, putative 0.0421 0.1726 1
Entamoeba histolytica cyclin, putative 0.0313 0.0857 0.4817
Echinococcus multilocularis cyclins 0.0313 0.0857 0.3815
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0393 0.1501 0.1501
Schistosoma mansoni cyclin B3 0.0313 0.0857 0.3815
Echinococcus granulosus cyclin dependent kinase 9 0.0241 0.0277 0.1233
Echinococcus granulosus cyclins 0.0313 0.0857 0.3815
Echinococcus granulosus cyclin dependent kinase 0.0393 0.1501 0.6685
Loa Loa (eye worm) hypothetical protein 0.0381 0.1409 0.1409
Schistosoma mansoni serine/threonine protein kinase 0.0448 0.1945 0.8658
Brugia malayi Cyclin, N-terminal domain containing protein 0.0421 0.1726 0.1726
Trichomonas vaginalis CMGC family protein kinase 0.0393 0.1501 0.8697
Plasmodium falciparum protein kinase 5 0.0393 0.1501 1
Echinococcus granulosus cyclin B3 1 0.0313 0.0857 0.3815
Trichomonas vaginalis cyclin B3, putative 0.0313 0.0857 0.496
Trichomonas vaginalis cyclins, putative 0.0421 0.1726 1
Loa Loa (eye worm) cyclin C 0.0485 0.2246 0.2246
Trichomonas vaginalis conserved hypothetical protein 0.0313 0.0857 0.496
Trypanosoma cruzi cyclin 6, putative 0.0421 0.1726 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0393 0.1501 0.6685
Loa Loa (eye worm) cyclin domain-containing protein 0.1445 1 1
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0393 0.1501 0.6685
Echinococcus granulosus cyclin b3 0.0313 0.0857 0.3815
Echinococcus multilocularis cyclins 0.0313 0.0857 0.3815
Trichomonas vaginalis cyclin B, putative 0.0421 0.1726 1
Echinococcus multilocularis cyclins 0.0313 0.0857 0.3815
Echinococcus multilocularis oligomeric golgi complex subunit 3 0.0485 0.2246 1
Echinococcus granulosus cyclins 0.0313 0.0857 0.3815
Schistosoma mansoni cyclin B 0.0421 0.1726 0.7686
Entamoeba histolytica cyclin family protein 0.0313 0.0857 0.4817
Entamoeba histolytica hypothetical protein 0.0361 0.1245 0.7
Echinococcus multilocularis cyclin dependent kinase 5 0.0393 0.1501 0.6685
Echinococcus granulosus cyclin 0.0485 0.2246 1
Trichomonas vaginalis cyclins, putative 0.0421 0.1726 1
Echinococcus multilocularis cyclins 0.0313 0.0857 0.3815
Loa Loa (eye worm) cyclin domain-containing protein 0.0846 0.5163 0.5163
Trichomonas vaginalis cyclin B, putative 0.0313 0.0857 0.496
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.0287 0.0648 0.2883
Echinococcus multilocularis cyclin dependent kinase 1 0.0393 0.1501 0.6685
Trichomonas vaginalis cyclin D, putative 0.0313 0.0857 0.496
Echinococcus granulosus cyclin B 0.0421 0.1726 0.7686
Brugia malayi Cyclin C 0.0485 0.2246 0.2246
Echinococcus granulosus oligomeric golgi complex subunit 3 0.0485 0.2246 1
Echinococcus granulosus cyclins 0.0313 0.0857 0.3815
Loa Loa (eye worm) hypothetical protein 0.0287 0.0648 0.0648
Brugia malayi Protein kinase domain containing protein 0.0393 0.1501 0.1501
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0287 0.0648 0.2883
Echinococcus multilocularis cyclin B 0.0421 0.1726 0.7686
Echinococcus multilocularis cyclins 0.0313 0.0857 0.3815
Entamoeba histolytica cell division protein kinase 2, putative 0.0427 0.1778 1
Loa Loa (eye worm) hypothetical protein 0.0421 0.1726 0.1726
Echinococcus granulosus cyclin dependent kinase 1 0.0393 0.1501 0.6685
Giardia lamblia G2/mitotic-specific cyclin B 0.0421 0.1726 1
Trichomonas vaginalis cyclin B, putative 0.0421 0.1726 1
Echinococcus multilocularis cyclins 0.0313 0.0857 0.3815
Trichomonas vaginalis cyclin H, putative 0.0361 0.1245 0.721
Entamoeba histolytica cell division protein kinase 2, putative 0.0393 0.1501 0.8442
Entamoeba histolytica cyclin family protein 0.0313 0.0857 0.4817
Trichomonas vaginalis cyclins, putative 0.0421 0.1726 1
Trichomonas vaginalis CMGC family protein kinase 0.0393 0.1501 0.8697
Schistosoma mansoni serine/threonine protein kinase 0.0393 0.1501 0.6685
Trichomonas vaginalis cyclin D, putative 0.0313 0.0857 0.496
Trichomonas vaginalis cyclin B, putative 0.0421 0.1726 1
Echinococcus multilocularis cyclin 0.0485 0.2246 1
Echinococcus granulosus cyclins 0.0313 0.0857 0.3815
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0448 0.1945 0.1945
Trypanosoma cruzi CYC2-like cyclin, putative 0.0421 0.1726 1
Trypanosoma brucei mitotic cyclin 6 0.0421 0.1726 1
Echinococcus multilocularis cyclin dependent kinase 9 0.0241 0.0277 0.1233
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0393 0.1501 0.1501
Brugia malayi Cyclin, N-terminal domain containing protein 0.0846 0.5163 0.5163
Giardia lamblia Kinase, CMGC CDK 0.0393 0.1501 0.7415
Echinococcus granulosus cyclin dependent kinase 5 0.0393 0.1501 0.6685
Trypanosoma cruzi cyclin, putative 0.0421 0.1726 1
Echinococcus multilocularis cyclin B3 1 0.0313 0.0857 0.3815
Brugia malayi cyclin-dependent kinase 7 homolog 0.0482 0.2222 0.2222
Entamoeba histolytica cyclin, putative 0.0421 0.1726 0.9706
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0313 0.0857 0.3815
Brugia malayi Cyclin, N-terminal domain containing protein 0.0421 0.1726 0.1726

Activities

No activities found for this compound.

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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