Detailed information for compound 332298

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 371.649 | Formula: C15H13Cl3N4O
  • H donors: 1 H acceptors: 2 LogP: 4.18 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nn(c2c1c(=O)[nH]c(n2)CC)c1c(Cl)cc(cc1Cl)Cl
  • InChi: 1S/C15H13Cl3N4O/c1-3-10-12-14(19-11(4-2)20-15(12)23)22(21-10)13-8(17)5-7(16)6-9(13)18/h5-6H,3-4H2,1-2H3,(H,19,20,23)
  • InChiKey: DXPOPWAXDIQCHR-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 cyclin E2 Starlite/ChEMBL References
Homo sapiens cyclin D1 Starlite/ChEMBL References

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
Echinococcus multilocularis cyclins 0.0043 0.0401 0.1524
Loa Loa (eye worm) hypothetical protein 0.0122 0.2632 0.2632
Loa Loa (eye worm) hypothetical protein 0.0043 0.0401 0.0401
Echinococcus multilocularis cyclin B3 1 0.0043 0.0401 0.1524
Echinococcus granulosus cyclin B 0.0043 0.0401 0.1524
Schistosoma mansoni cyclin B 0.0043 0.0401 0.1524
Echinococcus granulosus cyclin b3 0.0043 0.0401 0.1524
Brugia malayi Cyclin, N-terminal domain containing protein 0.0043 0.0401 0.0758
Loa Loa (eye worm) hypothetical protein 0.0089 0.1694 0.1694
Echinococcus multilocularis potassium voltage gated channel protein 0.0089 0.1694 0.6435
Trichomonas vaginalis cyclin B, putative 0.0043 0.0401 0.5
Trichomonas vaginalis cyclin A, putative 0.0043 0.0401 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.0737 0.0737
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0089 0.1694 0.32
Trichomonas vaginalis cyclin B, putative 0.0043 0.0401 0.5
Echinococcus multilocularis cyclins 0.0043 0.0401 0.1524
Echinococcus multilocularis cyclins 0.0043 0.0401 0.1524
Schistosoma mansoni calcium-activated potassium channel 0.0122 0.2632 1
Trichomonas vaginalis cyclin D, putative 0.0043 0.0401 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.0043 0.0401 0.0758
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0089 0.1694 0.6435
Echinococcus granulosus cyclins 0.0043 0.0401 0.1524
Toxoplasma gondii hypothetical protein 0.0033 0.0108 0.5
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0043 0.0401 0.1524
Giardia lamblia Cyclin A 0.0043 0.0401 0.5
Loa Loa (eye worm) hypothetical protein 0.0216 0.5294 0.5294
Entamoeba histolytica cyclin, putative 0.0043 0.0401 0.5
Trypanosoma brucei mitotic cyclin 6 0.0043 0.0401 0.5
Echinococcus granulosus cyclins 0.0043 0.0401 0.1524
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0043 0.0401 0.1524
Trypanosoma cruzi ion transport protein, putative 0.0103 0.2103 1
Trypanosoma cruzi ion transport protein, putative 0.0103 0.2103 1
Echinococcus granulosus cyclin B3 1 0.0043 0.0401 0.1524
Trichomonas vaginalis cyclins, putative 0.0043 0.0401 0.5
Trichomonas vaginalis cyclins, putative 0.0043 0.0401 0.5
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0216 0.5294 1
Echinococcus granulosus small conductance calcium activated potassium 0.0122 0.2632 1
Entamoeba histolytica cyclin family protein 0.0043 0.0401 0.5
Echinococcus multilocularis small conductance calcium activated potassium 0.0122 0.2632 1
Echinococcus multilocularis cyclins 0.0043 0.0401 0.1524
Entamoeba histolytica cyclin, putative 0.0043 0.0401 0.5
Trichomonas vaginalis cyclin B3, putative 0.0043 0.0401 0.5
Plasmodium falciparum cyclin 0.0043 0.0401 0.5
Echinococcus multilocularis cyclins 0.0043 0.0401 0.1524
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0401 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0085 0.1584 0.6019
Trichomonas vaginalis cyclin B, putative 0.0043 0.0401 0.5
Onchocerca volvulus 0.0043 0.0401 1
Trichomonas vaginalis cyclin B, putative 0.0043 0.0401 0.5
Echinococcus granulosus cyclins 0.0043 0.0401 0.1524
Schistosoma mansoni cyclin B3 0.0043 0.0401 0.1524
Schistosoma mansoni voltage-gated potassium channel 0.0089 0.1694 0.6435
Schistosoma mansoni calcium-activated potassium channel 0.0116 0.2464 0.9362
Leishmania major ion transport protein-like protein 0.0103 0.2103 1
Trichomonas vaginalis cyclins, putative 0.0043 0.0401 0.5
Echinococcus multilocularis cyclins 0.0043 0.0401 0.1524
Schistosoma mansoni cyclins 0.0043 0.0401 0.1524
Trichomonas vaginalis cyclin B, putative 0.0043 0.0401 0.5
Echinococcus granulosus cyclins 0.0043 0.0401 0.1524
Giardia lamblia G2/mitotic-specific cyclin B 0.0043 0.0401 0.5
Giardia lamblia Hypothetical protein 0.0043 0.0401 0.5
Echinococcus multilocularis cyclin B 0.0043 0.0401 0.1524
Loa Loa (eye worm) hypothetical protein 0.0043 0.0401 0.0401
Loa Loa (eye worm) cyclin domain-containing protein 0.0043 0.0401 0.0401
Entamoeba histolytica cyclin family protein 0.0043 0.0401 0.5
Echinococcus multilocularis cyclins 0.0043 0.0401 0.1524
Echinococcus granulosus cyclins 0.0043 0.0401 0.1524
Trichomonas vaginalis cyclins, putative 0.0043 0.0401 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.0043 0.0401 0.0758
Echinococcus granulosus potassium voltage gated channel protein 0.0089 0.1694 0.6435
Loa Loa (eye worm) hypothetical protein 0.0061 0.0914 0.0914
Trichomonas vaginalis cyclin D, putative 0.0043 0.0401 0.5
Loa Loa (eye worm) hypothetical protein 0.0202 0.4919 0.4919
Echinococcus multilocularis cyclin b3 0.0043 0.0401 0.1524
Trichomonas vaginalis cyclins, putative 0.0043 0.0401 0.5
Schistosoma mansoni hypothetical protein 0.0122 0.2632 1
Schistosoma mansoni voltage-gated potassium channel 0.0089 0.1694 0.6435

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.09 uM Inhibition of Cyclin-dependent kinase 2-cyclin E ChEMBL. 15537345
IC50 (binding) = 0.09 uM Inhibition of Cyclin-dependent kinase 2-cyclin E ChEMBL. 15537345
IC50 (binding) = 0.94 uM Inhibition of Cyclin-dependent kinase 4-cyclin D1 ChEMBL. 15537345
IC50 (binding) = 0.94 uM Inhibition of Cyclin-dependent kinase 4-cyclin D1 ChEMBL. 15537345

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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