Detailed information for compound 24773

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.478 | Formula: C26H22N4O2
  • H donors: 1 H acceptors: 3 LogP: 3.98 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCn1c2ccccc2c2c1c1ncc3c(c1c1c2c(=O)[nH]c1=O)cccc3)C
  • InChi: 1S/C26H22N4O2/c1-29(2)12-7-13-30-18-11-6-5-10-17(18)20-22-21(25(31)28-26(22)32)19-16-9-4-3-8-15(16)14-27-23(19)24(20)30/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,28,31,32)
  • InChiKey: KAXKXSIEQWCCLP-UHFFFAOYSA-N  


Substructure search Similarity search

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 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
Trichomonas vaginalis conserved hypothetical protein 0.0021 1 0.5
Echinococcus multilocularis cyclins 0.0021 1 0.5
Echinococcus granulosus cyclins 0.0021 1 0.5
Echinococcus multilocularis cyclin B 0.0021 1 0.5
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0021 1 0.5
Echinococcus multilocularis cyclins 0.0021 1 0.5
Entamoeba histolytica cyclin family protein 0.0021 1 0.5
Entamoeba histolytica cyclin, putative 0.0021 1 0.5
Trypanosoma brucei mitotic cyclin 6 0.0021 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 1 0.5
Echinococcus multilocularis cyclin B3 1 0.0021 1 0.5
Giardia lamblia Cyclin A 0.0021 1 0.5
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0021 1 0.5
Entamoeba histolytica cyclin, putative 0.0021 1 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.0021 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 1 0.5
Echinococcus granulosus cyclin B 0.0021 1 0.5
Trichomonas vaginalis cyclin B, putative 0.0021 1 0.5
Echinococcus granulosus cyclins 0.0021 1 0.5
Schistosoma mansoni cyclins 0.0021 1 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.0021 1 0.5
Trichomonas vaginalis cyclins, putative 0.0021 1 0.5
Giardia lamblia Hypothetical protein 0.0021 1 0.5
Loa Loa (eye worm) cyclin domain-containing protein 0.0021 1 0.5
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0021 1 0.5
Leishmania major cyclin 0.0021 1 0.5
Toxoplasma gondii hypothetical protein 0.0016 0 0.5
Echinococcus granulosus cyclin B3 1 0.0021 1 0.5
Giardia lamblia G2/mitotic-specific cyclin B 0.0021 1 0.5
Trichomonas vaginalis cyclin D, putative 0.0021 1 0.5
Trypanosoma cruzi cyclin 6, putative 0.0021 1 0.5
Trichomonas vaginalis cyclin B3, putative 0.0021 1 0.5
Trichomonas vaginalis cyclin B, putative 0.0021 1 0.5
Entamoeba histolytica cyclin family protein 0.0021 1 0.5
Echinococcus multilocularis cyclins 0.0021 1 0.5
Schistosoma mansoni cyclin B 0.0021 1 0.5
Echinococcus multilocularis cyclins 0.0021 1 0.5
Plasmodium falciparum cyclin 0.0021 1 0.5
Schistosoma mansoni cyclin B3 0.0021 1 0.5
Onchocerca volvulus 0.0021 1 0.5
Trichomonas vaginalis cyclin B, putative 0.0021 1 0.5
Echinococcus multilocularis cyclins 0.0021 1 0.5
Trichomonas vaginalis cyclins, putative 0.0021 1 0.5
Echinococcus multilocularis cyclin b3 0.0021 1 0.5
Trichomonas vaginalis cyclins, putative 0.0021 1 0.5
Trichomonas vaginalis cyclin B, putative 0.0021 1 0.5
Trichomonas vaginalis cyclin A, putative 0.0021 1 0.5
Trichomonas vaginalis cyclins, putative 0.0021 1 0.5
Echinococcus granulosus cyclin b3 0.0021 1 0.5
Trichomonas vaginalis cyclin B, putative 0.0021 1 0.5
Trypanosoma cruzi CYC2-like cyclin, putative 0.0021 1 0.5
Echinococcus granulosus cyclins 0.0021 1 0.5
Trypanosoma cruzi cyclin, putative 0.0021 1 0.5
Echinococcus multilocularis cyclins 0.0021 1 0.5
Trypanosoma cruzi cyclin, putative 0.0021 1 0.5
Trichomonas vaginalis cyclins, putative 0.0021 1 0.5
Echinococcus granulosus cyclins 0.0021 1 0.5
Echinococcus granulosus cyclins 0.0021 1 0.5
Trichomonas vaginalis cyclin D, putative 0.0021 1 0.5
Echinococcus multilocularis cyclins 0.0021 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.17 uM Inhibitory activity against cyclin D1/ (cyclin dependent kinase) CDK4 ChEMBL. 12657252
IC50 (binding) = 0.17 uM Inhibitory activity against cyclin D1/ (cyclin dependent kinase) CDK4 ChEMBL. 12657252
IC50 (functional) = 0.31 uM Inhibition of human colon carcinoma (HCT-116) cell proliferation ChEMBL. 12657252
IC50 (functional) = 0.31 uM Inhibition of human colon carcinoma (HCT-116) cell proliferation ChEMBL. 12657252
IC50 (functional) = 0.37 uM Inhibition of non-small cell lung carcinoma (NCI-460) cell proliferation ChEMBL. 12657252
IC50 (functional) = 0.37 uM Inhibition of non-small cell lung carcinoma (NCI-460) cell proliferation ChEMBL. 12657252

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12657252

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.