Detailed information for compound 1733400

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 399.488 | Formula: C24H25N5O
  • H donors: 2 H acceptors: 3 LogP: 3.59 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNC(c1ccc(cc1)Nc1ncc2c(n1)ccc(c2)c1ccncc1)C
  • InChi: 1S/C24H25N5O/c1-17(26-13-14-30-2)18-3-6-22(7-4-18)28-24-27-16-21-15-20(5-8-23(21)29-24)19-9-11-25-12-10-19/h3-12,15-17,26H,13-14H2,1-2H3,(H,27,28,29)
  • InChiKey: GTVDKMPFFQQVEL-UHFFFAOYSA-N  

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 0.0071 0.242 0.2062
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0046 0.0524 1
Trichomonas vaginalis cyclins, putative 0.0052 0.0937 0.2183
Loa Loa (eye worm) cyclin domain-containing protein 0.0052 0.0937 0.051
Echinococcus granulosus cyclins 0.0052 0.0937 0.0437
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0937 0.2183
Echinococcus granulosus cyclin B 0.0071 0.242 0.2001
Echinococcus multilocularis G1:S specific cyclin D1 0.0172 1 1
Echinococcus multilocularis cyclins 0.0052 0.0937 0.0437
Entamoeba histolytica cyclin, putative 0.0052 0.0937 0.2183
Brugia malayi Cyclin, N-terminal domain containing protein 0.0071 0.242 0.2001
Brugia malayi Cyclin, N-terminal domain containing protein 0.0071 0.242 0.2001
Leishmania major cyclin 0.0071 0.242 1
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0052 0.0937 0.0437
Echinococcus multilocularis cyclins 0.0052 0.0937 0.0437
Plasmodium vivax protein kinase Crk2 0.0046 0.0524 0.5
Schistosoma mansoni cyclins 0.0052 0.0937 0.0437
Trichomonas vaginalis cyclin B, putative 0.0052 0.0937 0.2183
Echinococcus granulosus cyclins 0.0052 0.0937 0.0437
Trichomonas vaginalis cyclin A, putative 0.0071 0.242 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.242 0.2062
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0046 0.0524 0.0077
Trypanosoma cruzi cyclin 6, putative 0.0071 0.242 1
Echinococcus granulosus cyclin B3 1 0.0052 0.0937 0.0437
Echinococcus multilocularis cyclin B3 1 0.0052 0.0937 0.0437
Trichomonas vaginalis cyclin B3, putative 0.0052 0.0937 0.2183
Echinococcus multilocularis cyclin B 0.0071 0.242 0.2001
Giardia lamblia G2/mitotic-specific cyclin B 0.0071 0.242 1
Echinococcus multilocularis cyclins 0.0052 0.0937 0.0437
Giardia lamblia Cyclin A 0.0052 0.0937 0.2183
Echinococcus multilocularis cyclins 0.0052 0.0937 0.0437
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0046 0.0524 0.0077
Trichomonas vaginalis cyclin B, putative 0.0071 0.242 1
Trypanosoma cruzi cyclin, putative 0.0071 0.242 1
Echinococcus granulosus cyclins 0.0052 0.0937 0.0437
Trichomonas vaginalis cyclins, putative 0.0071 0.242 1
Onchocerca volvulus 0.0071 0.242 0.5
Trypanosoma brucei mitotic cyclin 6 0.0071 0.242 1
Trichomonas vaginalis cyclins, putative 0.0071 0.242 1
Echinococcus granulosus G1:S specific cyclin D1 0.0172 1 1
Entamoeba histolytica cyclin family protein 0.0052 0.0937 0.2183
Trichomonas vaginalis cyclin B, putative 0.0071 0.242 1
Plasmodium falciparum cyclin 0.0052 0.0937 1
Loa Loa (eye worm) hypothetical protein 0.0172 1 1
Schistosoma mansoni cyclin B 0.0071 0.242 0.2001
Giardia lamblia Hypothetical protein 0.0052 0.0937 0.2183
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0046 0.0524 0.0077
Trichomonas vaginalis cyclin D, putative 0.0052 0.0937 0.2183
Schistosoma mansoni cyclin d 0.0172 1 1
Trichomonas vaginalis cyclin D, putative 0.0052 0.0937 0.2183
Trypanosoma cruzi CYC2-like cyclin, putative 0.0071 0.242 1
Echinococcus multilocularis cyclins 0.0052 0.0937 0.0437
Loa Loa (eye worm) hypothetical protein 0.0159 0.9063 0.9018
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0052 0.0937 0.0437
Entamoeba histolytica cyclin family protein 0.0052 0.0937 0.2183
Echinococcus multilocularis cyclin b3 0.0052 0.0937 0.0437
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0071 0.242 1
Entamoeba histolytica cyclin, putative 0.0071 0.242 1
Trichomonas vaginalis cyclins, putative 0.0071 0.242 1
Echinococcus multilocularis cyclins 0.0052 0.0937 0.0437
Trichomonas vaginalis cyclins, putative 0.0071 0.242 1
Echinococcus granulosus cyclins 0.0052 0.0937 0.0437
Echinococcus multilocularis cyclins 0.0052 0.0937 0.0437
Brugia malayi Cyclin, N-terminal domain containing protein 0.0052 0.0937 0.0437
Echinococcus granulosus cyclins 0.0052 0.0937 0.0437
Trypanosoma cruzi cyclin, putative 0.0071 0.242 1
Trichomonas vaginalis cyclin B, putative 0.0071 0.242 1
Trichomonas vaginalis cyclin B, putative 0.0071 0.242 1
Echinococcus granulosus cyclin b3 0.0052 0.0937 0.0437
Schistosoma mansoni cyclin B3 0.0052 0.0937 0.0437

Activities

Activity type Activity value Assay description Source Reference
Cp(f) (ADMET) = 9.4 % Fraction unbound in human plasma by LC-MS/MS analysis ChEMBL. 23398453

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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