Detailed information for compound 371560

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 448.471 | Formula: C24H24N4O5
  • H donors: 2 H acceptors: 4 LogP: 0.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCO/N=C\c1c2ccccc2nc2c1Cn1c2cc2c(c1=O)COC(=O)[C@]2(O)CC
  • InChi: 1S/C24H24N4O5/c1-2-24(31)18-10-20-21-16(12-28(20)22(29)17(18)13-32-23(24)30)15(11-26-33-9-5-8-25)14-6-3-4-7-19(14)27-21/h3-4,6-7,10-11,31H,2,5,8-9,12-13,25H2,1H3/b26-11-/t24-/m0/s1
  • InChiKey: NOAYDPAESGHHQX-TXKVDOGBSA-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
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0977 0.0977
Schistosoma mansoni hypothetical protein 0.0067 0.1764 0.1764
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.0977 0.1562
Schistosoma mansoni hypothetical protein 0.0131 0.7627 0.7627
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.0977 0.1562
Brugia malayi bZIP transcription factor family protein 0.0082 0.3157 0.3157
Brugia malayi hypothetical protein 0.0064 0.1561 0.1561
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0116 0.6259 1
Schistosoma mansoni jumonji domain containing protein 0.0058 0.0977 0.0977
Schistosoma mansoni lipoxygenase 0.0081 0.3089 0.3089
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0082 0.3157 0.5044
Schistosoma mansoni soluble guanylyl cyclase beta-3 0.0131 0.7627 0.7627
Loa Loa (eye worm) hypothetical protein 0.008 0.2953 0.2953
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.0977 0.1562
Loa Loa (eye worm) hypothetical protein 0.0158 1 1
Schistosoma mansoni hypothetical protein 0.0051 0.0344 0.0344
Schistosoma mansoni jun-related protein 0.0067 0.1764 0.1764
Echinococcus granulosus jun protein 0.0082 0.3157 0.5044
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0082 0.3157 0.5044
Brugia malayi jmjC domain containing protein 0.0058 0.0977 0.0977
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0136 0.0136
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0977 0.0977
Schistosoma mansoni soluble guanylate cyclase gcy 0.0139 0.8293 0.8293
Brugia malayi jmjC domain containing protein 0.0058 0.0977 0.0977
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0136 0.0136
Echinococcus multilocularis jun protein 0.0082 0.3157 0.5044
Schistosoma mansoni soluble guanylate cyclase gcy 0.0139 0.8293 0.8293
Loa Loa (eye worm) hypothetical protein 0.0049 0.0136 0.0136
Schistosoma mansoni soluble guanylate cyclase gcy 0.0158 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.0977 0.1562
Schistosoma mansoni soluble guanylate cyclase gcy 0.0139 0.8293 0.8293
Loa Loa (eye worm) guanylyl cyclase/natriuretic peptide receptor 0.0158 1 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0116 0.6259 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0136 0.0136
Schistosoma mansoni lipoxygenase 0.0116 0.6259 0.6259
Onchocerca volvulus 0.0158 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0977 0.0977

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.77 uM Inhibition of human H460 cell growth ChEMBL. 16913706
IC50 (functional) = 1.77 uM Inhibition of human H460 cell growth ChEMBL. 16913706

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 16913706

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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