Detailed information for compound 204724

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 521.689 | Formula: C30H36FN3O2S
  • H donors: 2 H acceptors: 3 LogP: 5.37 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1ccc2c(c1)CCC(C2Cc1cccnc1)NCC1CCC(CC1)CNS(=O)(=O)c1ccccc1
  • InChi: 1S/C30H36FN3O2S/c31-26-13-14-28-25(18-26)12-15-30(29(28)17-24-5-4-16-32-19-24)33-20-22-8-10-23(11-9-22)21-34-37(35,36)27-6-2-1-3-7-27/h1-7,13-14,16,18-19,22-23,29-30,33-34H,8-12,15,17,20-21H2/t22?,23-,29?,30?
  • InChiKey: QVZPBSHMFRXZBI-SNGJLMNSSA-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 0.0092 0.5224 0.4326
Echinococcus multilocularis carbonic anhydrase II 0.0166 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0166 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0166 1 1
Trichomonas vaginalis cyclins, putative 0.0035 0.1582 0.5
Plasmodium falciparum carbonic anhydrase 0.0062 0.3288 1
Trypanosoma cruzi cyclin, putative 0.0035 0.1582 0.1582
Trichomonas vaginalis cyclin B, putative 0.0035 0.1582 0.5
Echinococcus granulosus carbonic anhydrase 0.0062 0.3288 0.2026
Echinococcus multilocularis carbonic anhydrase 0.0062 0.3288 0.2026
Mycobacterium ulcerans hypothetical protein 0.0011 0 0.5
Trichomonas vaginalis cyclins, putative 0.0035 0.1582 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.3288 0.2026
Leishmania major delta-5 fatty acid desaturase 0.0102 0.588 0.588
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0062 0.3288 0.2026
Leishmania major cyclin 0.0035 0.1582 0.1582
Loa Loa (eye worm) hypothetical protein 0.0062 0.3288 0.2026
Leishmania major carbonic anhydrase-like protein 0.0166 1 1
Trichomonas vaginalis cyclin B, putative 0.0035 0.1582 0.5
Toxoplasma gondii hypothetical protein 0.0062 0.3288 1
Schistosoma mansoni carbonic anhydrase-related 0.0062 0.3288 0.2026
Brugia malayi Delta5 fatty acid desaturase 0.0102 0.588 0.5105
Trichomonas vaginalis cyclin A, putative 0.0035 0.1582 0.5
Giardia lamblia Hypothetical protein 0.0035 0.1582 0.5
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0062 0.3288 0.2026
Trypanosoma cruzi CYC2-like cyclin, putative 0.0035 0.1582 0.1582
Echinococcus granulosus carbonic anhydrase II 0.0166 1 1
Echinococcus granulosus carbonic anhydrase 0.0062 0.3288 0.2026
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0062 0.3288 0.2026
Trypanosoma brucei carbonic anhydrase-like protein 0.0166 1 1
Entamoeba histolytica cyclin family protein 0.0035 0.1582 0.5
Trypanosoma cruzi cyclin, putative 0.0035 0.1582 0.1582
Schistosoma mansoni carbonic anhydrase-related 0.0062 0.3288 0.2026
Loa Loa (eye worm) hypothetical protein 0.0062 0.3288 0.2026
Onchocerca volvulus 0.0102 0.59 1
Trichomonas vaginalis cyclins, putative 0.0035 0.1582 0.5
Loa Loa (eye worm) FAT-3 protein 0.0102 0.588 0.5105
Loa Loa (eye worm) carbonic anhydrase 3 0.0166 1 1
Entamoeba histolytica cyclin, putative 0.0035 0.1582 0.5
Entamoeba histolytica cyclin, putative 0.0035 0.1582 0.5
Trichomonas vaginalis cyclins, putative 0.0035 0.1582 0.5
Echinococcus multilocularis carbonic anhydrase 0.0062 0.3288 0.2026
Echinococcus multilocularis carbonic anhydrase 0.0062 0.3288 0.2026
Trichomonas vaginalis cyclin D, putative 0.0035 0.1582 0.5
Entamoeba histolytica cyclin family protein 0.0035 0.1582 0.5
Trichomonas vaginalis cyclins, putative 0.0035 0.1582 0.5
Giardia lamblia G2/mitotic-specific cyclin B 0.0035 0.1582 0.5
Loa Loa (eye worm) hypothetical protein 0.0102 0.588 0.5105
Schistosoma mansoni carbonic anhydrase 0.0062 0.3288 0.2026
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0035 0.1582 0.1582
Schistosoma mansoni hypothetical protein 0.0062 0.3288 0.2026
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0062 0.3288 0.2026
Trichomonas vaginalis cyclin B3, putative 0.0035 0.1582 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.1582 0.5
Schistosoma mansoni fatty acid desaturase 0.0102 0.59 0.513
Trichomonas vaginalis cyclin D, putative 0.0035 0.1582 0.5
Trichomonas vaginalis cyclin B, putative 0.0035 0.1582 0.5
Trichomonas vaginalis cyclin B, putative 0.0035 0.1582 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0062 0.3288 0.2026
Trichomonas vaginalis cyclin B, putative 0.0035 0.1582 0.5
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0166 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0062 0.3288 0.2026
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0166 1 1
Giardia lamblia Cyclin A 0.0035 0.1582 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0166 1 1
Trypanosoma cruzi cyclin 6, putative 0.0035 0.1582 0.1582
Trypanosoma brucei mitotic cyclin 6 0.0035 0.1582 0.1582
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0166 1 1
Mycobacterium tuberculosis Probable conserved membrane protein 0.0011 0 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0062 0.3288 0.2026
Echinococcus granulosus carbonic anhydrase 0.0062 0.3288 0.2026

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 27 nM Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes. ChEMBL. 10669561

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

1 literature reference was collected for this gene.

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