Detailed information for compound 149786

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.465 | Formula: C19H30N4O5
  • H donors: 4 H acceptors: 5 LogP: -3.27 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCCC(C(=O)N1C2CCC1C(=CC2)C(=O)NCCC(=O)O)NC(=O)C
  • InChi: 1S/C19H30N4O5/c1-12(24)22-15(4-2-3-10-20)19(28)23-13-5-7-14(16(23)8-6-13)18(27)21-11-9-17(25)26/h7,13,15-16H,2-6,8-11,20H2,1H3,(H,21,27)(H,22,24)(H,25,26)
  • InChiKey: BQUHJQKJXKKYKQ-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 0.0089 0.0569 0.1279
Echinococcus multilocularis carbonic anhydrase 0.0089 0.0569 0.1279
Echinococcus granulosus carbonic anhydrase 0.0089 0.0569 0.1279
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0089 0.0569 0.102
Echinococcus multilocularis carbonic anhydrase II 0.0391 0.4447 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0391 0.4447 0.5
Mycobacterium ulcerans secreted antigen 85-C FbpC 0.0823 1 0.5
Brugia malayi Serotonin receptor 0.0479 0.5576 1
Echinococcus granulosus carbonic anhydrase 0.0089 0.0569 0.1279
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0391 0.4447 1
Plasmodium falciparum carbonic anhydrase 0.0089 0.0569 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0089 0.0569 0.1279
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0391 0.4447 0.7975
Leishmania major carbonic anhydrase-like protein 0.0391 0.4447 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0391 0.4447 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0089 0.0569 0.102
Schistosoma mansoni carbonic anhydrase 0.0089 0.0569 0.1279
Schistosoma mansoni carbonic anhydrase-related 0.0089 0.0569 0.1279
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0089 0.0569 0.1279
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0391 0.4447 1
Schistosoma mansoni carbonic anhydrase-related 0.0089 0.0569 0.1279
Loa Loa (eye worm) hypothetical protein 0.0089 0.0569 0.1279
Echinococcus multilocularis carbonic anhydrase 0.0089 0.0569 0.1279
Mycobacterium tuberculosis Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) 0.0823 1 0.5
Echinococcus multilocularis carbonic anhydrase 0.0089 0.0569 0.1279
Toxoplasma gondii hypothetical protein 0.0089 0.0569 0.5
Echinococcus granulosus carbonic anhydrase 0.0089 0.0569 0.1279
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0391 0.4447 0.5
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0089 0.0569 0.102
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0089 0.0569 0.102
Echinococcus granulosus carbonic anhydrase II 0.0391 0.4447 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.0569 0.1279
Schistosoma mansoni hypothetical protein 0.0089 0.0569 0.1279
Loa Loa (eye worm) carbonic anhydrase 3 0.0391 0.4447 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0391 0.4447 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0089 0.0569 0.102
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0391 0.4447 0.7975

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 500 uM Compound was tested for its ability to inhibit the thrombin-induced platelet aggregation in washed human platelets ChEMBL. 9873606
IC50 (functional) > 500 uM Compound was tested for its ability to inhibit the thrombin-induced platelet aggregation in washed human platelets ChEMBL. 9873606

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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