Detailed information for compound 809190

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.405 | Formula: C19H23N3O2
  • H donors: 1 H acceptors: 3 LogP: 2.87 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC(C)(C)C)NCC1Cc2c(O1)c(ccc2)c1cncnc1
  • InChi: 1S/C19H23N3O2/c1-19(2,3)8-17(23)22-11-15-7-13-5-4-6-16(18(13)24-15)14-9-20-12-21-10-14/h4-6,9-10,12,15H,7-8,11H2,1-3H3,(H,22,23)
  • InChiKey: XBDMYKKVULEQGB-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) glycogen phosphorylase 0.0092 0.0163 0.0604
Trichomonas vaginalis conserved hypothetical protein 0.0315 0.0645 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0663 0.1394 1
Echinococcus granulosus glycogen phosphorylase 0.0092 0.0163 0.0604
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0521 0.109 0.5936
Brugia malayi Raf kinase 0.0219 0.0436 0.2692
Entamoeba histolytica glycogen phosphorylase, putative 0.0092 0.0163 1
Echinococcus multilocularis mitogen activated protein kinase 14 0.0521 0.109 0.7676
Mycobacterium tuberculosis Hypothetical protein 0.0315 0.0645 0.0597
Echinococcus granulosus c-Jun N-terminal kinases 0.0244 0.0491 0.3105
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0663 0.1394 1
Echinococcus granulosus Glycosyl transferase family 35 0.0092 0.0163 0.0604
Brugia malayi carbohydrate phosphorylase 0.0092 0.0163 0.0604
Chlamydia trachomatis glycogen phosphorylase 0.0092 0.0163 0.5
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0663 0.1394 1
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0128 0.0242 0.1207
Echinococcus multilocularis mitogen activated protein kinase 11 0.0521 0.109 0.7676
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0663 0.1394 0.5
Loa Loa (eye worm) raf kinase 0.0225 0.0451 0.2804
Echinococcus granulosus thymidylate synthase 0.0663 0.1394 1
Schistosoma mansoni glycogen phosphorylase 0.004 0.005 0.0362
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0521 0.109 0.6721
Schistosoma mansoni serine/threonine protein kinase 0.0244 0.0491 0.3519
Entamoeba histolytica glycogen phosphorylase, putative 0.0092 0.0163 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.0521 0.109 0.7676
Mycobacterium ulcerans FAD-dependent thymidylate synthase 0.4652 1 1
Giardia lamblia Glycogen phosphorylase 0.0092 0.0163 0.5
Brugia malayi hypothetical protein 0.0315 0.0645 0.4281
Echinococcus granulosus mitogen activated protein kinase 14 0.0521 0.109 0.7676
Brugia malayi P38 map kinase family protein 2 0.0521 0.109 0.7676
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0663 0.1394 1
Brugia malayi Stress-activated protein kinase jnk-1 0.0244 0.0491 0.3105
Mycobacterium tuberculosis Probable thymidylate synthase ThyX (ts) (TSase) 0.4652 1 1
Onchocerca volvulus 0.0663 0.1394 1
Loa Loa (eye worm) thymidylate synthase 0.0663 0.1394 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0663 0.1394 1
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0521 0.109 0.7676
Mycobacterium ulcerans hypothetical protein 0.0052 0.0077 0.0027
Echinococcus granulosus glycogen phosphorylase 0.0092 0.0163 0.0604
Echinococcus granulosus mitogen activated protein kinase 11 0.0521 0.109 0.7676
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0663 0.1394 0.1351
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0244 0.0491 0.3105
Echinococcus multilocularis raf serine:threonine protein kinase 0.0227 0.0454 0.2822
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0084 0.0601
Echinococcus multilocularis Glycosyl transferase, family 35 0.0092 0.0163 0.0604
Schistosoma mansoni glycogen phosphorylase 0.0092 0.0163 0.1169
Brugia malayi thymidylate synthase 0.0663 0.1394 1
Echinococcus granulosus raf serine:threonine protein kinase 0.0227 0.0454 0.2822
Schistosoma mansoni hypothetical protein 0.0232 0.0465 0.3338
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0663 0.1394 1
Mycobacterium ulcerans thymidylate synthase 0.0663 0.1394 0.1351
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0244 0.0491 0.3105
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0521 0.109 0.5936
Echinococcus multilocularis glycogen phosphorylase 0.0092 0.0163 0.0604
Echinococcus multilocularis mitogen activated protein kinase 14 0.0521 0.109 0.7676
Schistosoma mansoni glycogen phosphorylase 0.0092 0.0163 0.1169
Echinococcus multilocularis glycogen phosphorylase 0.0092 0.0163 0.0604
Schistosoma mansoni serine/threonine protein kinase 0.0227 0.0454 0.3253
Echinococcus multilocularis thymidylate synthase 0.0663 0.1394 1
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0084 0.0601

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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