Detailed information for compound 1614033

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.824 | Formula: C17H19ClN6O4
  • H donors: 1 H acceptors: 5 LogP: 3.36 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(NCCCCn3ccnc3[N+](=O)[O-])nc(nc2cc1OC)Cl
  • InChi: 1S/C17H19ClN6O4/c1-27-13-9-11-12(10-14(13)28-2)21-16(18)22-15(11)19-5-3-4-7-23-8-6-20-17(23)24(25)26/h6,8-10H,3-5,7H2,1-2H3,(H,19,21,22)
  • InChiKey: OBVWNQOOPRWIKQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Chlamydia trachomatis DNA topoisomerase I 0.0922 0.649 0.5
Echinococcus granulosus SWI:SNF matrix associated 0.0922 0.649 0.6479
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0922 0.649 1
Schistosoma mansoni hypothetical protein 0.0922 0.649 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0922 0.649 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0328 0.2227 0.34
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0328 0.2227 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0922 0.649 1
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0328 0.2227 0.1697
Echinococcus granulosus Zinc finger RanBP2 type 0.0328 0.2227 0.2203
Echinococcus multilocularis SWI:SNF matrix associated 0.0922 0.649 0.6479
Trypanosoma brucei hypothetical protein, conserved 0.0328 0.2227 1
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0328 0.2227 0.2203
Loa Loa (eye worm) hypothetical protein 0.0207 0.1355 0.2088
Chlamydia trachomatis SWIB complex protein 0.0922 0.649 0.5
Brugia malayi Cytochrome P450 family protein 0.0025 0.0051 0.0033
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0328 0.2227 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0922 0.649 1
Leishmania major hypothetical protein, conserved 0.0328 0.2227 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0051 0.0079
Brugia malayi brahma associated protein 60 kDa 0.0922 0.649 1
Schistosoma mansoni cellular tumor antigen P53 0.0207 0.1355 0.2051
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0328 0.2227 1
Brugia malayi YY1-associated factor 2 0.0328 0.2227 0.34
Onchocerca volvulus 0.0328 0.2227 0.1697
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0922 0.649 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0922 0.649 0.6479
Schistosoma mansoni RNA binding protein 0.0328 0.2227 0.34
Plasmodium vivax hypothetical protein, conserved 0.0922 0.649 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0328 0.2227 1
Trypanosoma cruzi hypothetical protein, conserved 0.0328 0.2227 1
Onchocerca volvulus 0.0922 0.649 1
Brugia malayi brahma associated protein 60 kDa 0.0922 0.649 1
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.0466 0.0675
Loa Loa (eye worm) hypothetical protein 0.0328 0.2227 0.3431
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0051 0.0079
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0328 0.2227 0.34
Echinococcus multilocularis SWI:SNF matrix associated 0.0922 0.649 0.6479
Schistosoma mansoni TRABID protein (C64 family) 0.0328 0.2227 0.34
Echinococcus granulosus zinc finger protein Ran binding 0.0328 0.2227 0.2203
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0076 0.0416 0.0387
Trypanosoma cruzi WLM domain containing protein, putative 0.0328 0.2227 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0025 0.0051 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0076 0.0416 0.0598
Trypanosoma cruzi hypothetical protein, conserved 0.0328 0.2227 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0922 0.649 0.6479
Loa Loa (eye worm) hypothetical protein 0.0328 0.2227 0.3431
Onchocerca volvulus 0.0328 0.2227 0.1697
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0328 0.2227 0.34
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0328 0.2227 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0328 0.2227 1
Echinococcus granulosus ring and YY1 binding protein 0.0328 0.2227 0.2203
Schistosoma mansoni hypothetical protein 0.0328 0.2227 0.34
Trichomonas vaginalis conserved hypothetical protein 0.0922 0.649 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0922 0.649 0.6479
Leishmania major hypothetical protein, conserved 0.0328 0.2227 1
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.0466 0.0675
Leishmania major hypothetical protein, conserved 0.0328 0.2227 1
Trypanosoma cruzi hypothetical protein, conserved 0.0328 0.2227 1
Onchocerca volvulus 0.0328 0.2227 0.1697
Schistosoma mansoni hypothetical protein 0.0922 0.649 1
Loa Loa (eye worm) CYP4Cod1 0.0025 0.0051 0.0079
Leishmania major hypothetical protein, conserved 0.0328 0.2227 1
Echinococcus multilocularis ring and YY1 binding protein 0.0328 0.2227 0.2203
Loa Loa (eye worm) hypothetical protein 0.0022 0.003 0.0047
Trypanosoma brucei hypothetical protein, conserved 0.0328 0.2227 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0922 0.649 1
Echinococcus multilocularis zinc finger protein Ran binding 0.0328 0.2227 0.2203
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0328 0.2227 0.34
Onchocerca volvulus 0.0328 0.2227 0.1697
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0328 0.2227 1
Loa Loa (eye worm) hypothetical protein 0.0328 0.2227 0.3431
Schistosoma mansoni brg-1 associated factor 0.0922 0.649 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0344 0.0531
Leishmania major hypothetical protein, conserved 0.0328 0.2227 1
Loa Loa (eye worm) brahma associated protein 0.0922 0.649 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0076 0.0416 0.0641
Schistosoma mansoni hypothetical protein 0.0922 0.649 1
Loa Loa (eye worm) hypothetical protein 0.0328 0.2227 0.3431
Schistosoma mansoni fusion 0.0328 0.2227 0.34
Brugia malayi Cytochrome P450 family protein 0.0025 0.0051 0.0033
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0328 0.2227 1
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0328 0.2227 0.2203
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0076 0.0416 0.0387
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0922 0.649 0.5
Loa Loa (eye worm) hypothetical protein 0.0328 0.2227 0.3431
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0328 0.2227 0.2203
Schistosoma mansoni zinc finger protein 0.0328 0.2227 0.34

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.

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