Detailed information for compound 1513895

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 578.057 | Formula: C27H36ClN5O7
  • H donors: 6 H acceptors: 8 LogP: 2.42 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 3
  • SMILES: CN(CC(CNc1nc(Cl)c2c(c1O)C(=O)C1=C(O)[C@]3([C@@H](C[C@@H]1C2)[C@H](N(C)C)C(=C(C3=O)C(=O)N)O)O)(C)C)C
  • InChi: 1S/C27H36ClN5O7/c1-26(2,10-32(3)4)9-30-25-20(36)15-12(23(28)31-25)7-11-8-13-17(33(5)6)19(35)16(24(29)39)22(38)27(13,40)21(37)14(11)18(15)34/h11,13,17,35-37,40H,7-10H2,1-6H3,(H2,29,39)(H,30,31)/t11-,13-,17-,27-/m0/s1
  • InChiKey: UYPPCLKCWNTNER-OOPMNPBMSA-N  


Substructure search Similarity search

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
Leishmania major hypothetical protein, conserved 0.0148 0.0524 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0415 0.4577 1
Schistosoma mansoni hypothetical protein 0.0415 0.4577 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0415 0.4577 1
Trypanosoma brucei hypothetical protein, conserved 0.0148 0.0524 0.5
Schistosoma mansoni TRABID protein (C64 family) 0.0148 0.0524 0.1144
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0148 0.0524 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0148 0.0524 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0415 0.4577 1
Schistosoma mansoni brg-1 associated factor 0.0415 0.4577 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0148 0.0524 0.5
Echinococcus multilocularis neuropeptide receptor 0.0223 0.1667 0.1206
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0148 0.0524 0.5
Chlamydia trachomatis DNA topoisomerase I 0.0415 0.4577 0.5
Leishmania major hypothetical protein, conserved 0.0148 0.0524 0.5
Schistosoma mansoni neuropeptide receptor 0.0223 0.1667 0.3641
Loa Loa (eye worm) hypothetical protein 0.0148 0.0524 0.1144
Echinococcus multilocularis SWI:SNF matrix associated 0.0415 0.4577 0.4278
Chlamydia trachomatis SWIB complex protein 0.0415 0.4577 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0148 0.0524 0.5
Schistosoma mansoni RNA binding protein 0.0148 0.0524 0.1144
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0148 0.0524 0.5
Schistosoma mansoni hypothetical protein 0.0415 0.4577 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0415 0.4577 0.5
Schistosoma mansoni hypothetical protein 0.0415 0.4577 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0415 0.4577 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0524 0.1144
Trichomonas vaginalis conserved hypothetical protein 0.0415 0.4577 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0148 0.0524 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0415 0.4577 0.4278
Echinococcus granulosus SWI:SNF matrix associated 0.0415 0.4577 0.4278
Brugia malayi SWIB/MDM2 domain containing protein 0.0415 0.4577 1
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0148 0.0524 0.1144
Trypanosoma cruzi hypothetical protein, conserved 0.0148 0.0524 0.5
Onchocerca volvulus 0.0415 0.4577 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0148 0.0524 0.5
Onchocerca volvulus 0.0148 0.0524 0.1144
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0415 0.4577 0.4278
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0415 0.4577 1
Leishmania major hypothetical protein, conserved 0.0148 0.0524 0.5
Onchocerca volvulus 0.0148 0.0524 0.1144
Loa Loa (eye worm) brahma associated protein 0.0415 0.4577 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0524 0.1144
Schistosoma mansoni fusion 0.0148 0.0524 0.1144
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0148 0.0524 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0148 0.0524 0.5
Brugia malayi brahma associated protein 60 kDa 0.0415 0.4577 1
Echinococcus granulosus neuropeptide receptor 0.0223 0.1667 0.1206
Leishmania major hypothetical protein, conserved 0.0148 0.0524 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.0524 0.1144
Trypanosoma cruzi hypothetical protein, conserved 0.0148 0.0524 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.0524 0.1144
Onchocerca volvulus 0.0148 0.0524 0.1144
Schistosoma mansoni zinc finger protein 0.0148 0.0524 0.1144
Brugia malayi brahma associated protein 60 kDa 0.0415 0.4577 1
Onchocerca volvulus 0.0148 0.0524 0.1144
Trypanosoma cruzi hypothetical protein, conserved 0.0148 0.0524 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0223 0.1667 0.1206
Echinococcus multilocularis SWI:SNF matrix associated 0.0415 0.4577 0.4278
Plasmodium vivax hypothetical protein, conserved 0.0415 0.4577 0.5
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0415 0.4577 0.4278
Leishmania major hypothetical protein, conserved 0.0148 0.0524 0.5
Schistosoma mansoni hypothetical protein 0.0148 0.0524 0.1144

Activities

No activities found for this compound.

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

No literature references available for this target.

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