Detailed information for compound 178890

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 265.269 | Formula: C11H15N5O3
  • H donors: 3 H acceptors: 4 LogP: 1.07 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cnc2n1c(O)c1NCN(c1n2)COCCO
  • InChi: 1S/C11H15N5O3/c1-7-4-12-11-14-9-8(10(18)16(7)11)13-5-15(9)6-19-3-2-17/h4,13,17-18H,2-3,5-6H2,1H3
  • InChiKey: WRCBUHMPMCXGDJ-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
Loa Loa (eye worm) hypothetical protein 0.0059 0.2322 0.2322
Schistosoma mansoni hypothetical protein 0.0167 1 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0167 1 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0167 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0059 0.2322 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0038 0.0775 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0059 0.2322 1
Trypanosoma brucei hypothetical protein, conserved 0.0059 0.2322 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0059 0.2322 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0059 0.2322 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0167 1 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.2322 0.2322
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.2322 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0167 1 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.2322 0.2322
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.2322 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0038 0.0775 0.0775
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0059 0.2322 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0059 0.2322 0.1677
Schistosoma mansoni hypothetical protein 0.0167 1 1
Leishmania major hypothetical protein, conserved 0.0059 0.2322 1
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.2322 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0059 0.2322 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.2322 0.2322
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0167 1 1
Leishmania major hypothetical protein, conserved 0.0059 0.2322 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.2322 0.2322
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0059 0.2322 0.1677
Chlamydia trachomatis DNA topoisomerase I 0.0167 1 0.5
Brugia malayi SWIB/MDM2 domain containing protein 0.0167 1 1
Schistosoma mansoni hypothetical protein 0.0167 1 1
Brugia malayi brahma associated protein 60 kDa 0.0167 1 1
Leishmania major hypothetical protein, conserved 0.0059 0.2322 1
Onchocerca volvulus 0.0167 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0167 1 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0167 1 0.5
Chlamydia trachomatis SWIB complex protein 0.0167 1 0.5
Loa Loa (eye worm) brahma associated protein 0.0167 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0059 0.2322 1
Leishmania major hypothetical protein, conserved 0.0059 0.2322 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0167 1 1
Loa Loa (eye worm) CYP4Cod1 0.0038 0.0775 0.0775
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0167 1 1
Leishmania major hypothetical protein, conserved 0.0059 0.2322 1
Trichomonas vaginalis conserved hypothetical protein 0.0167 1 0.5
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0059 0.2322 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0059 0.2322 0.1677
Brugia malayi YY1-associated factor 2 0.0059 0.2322 0.1677
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0059 0.2322 1
Plasmodium vivax hypothetical protein, conserved 0.0167 1 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0167 1 1
Schistosoma mansoni brg-1 associated factor 0.0167 1 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0059 0.2322 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0038 0.0775 0.0775
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0059 0.2322 0.1677
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0167 1 1
Echinococcus granulosus SWI:SNF matrix associated 0.0167 1 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.1 ug ml-1 The minimum inhibitory concentration was measured on E6SM cells against Herpes simplex virus type 1 (F strain) ChEMBL. 7932543
MIC (functional) = 0.5 ug ml-1 The minimum inhibitory concentration was measured on E6SM cells against Herpes simplex virus type 1 (McIntyre strain) ChEMBL. 7932543
MIC (functional) = 2 ug ml-1 The minimum inhibitory concentration was measured on E6SM cells against Herpes simplex virus type 2 (196 strain) ChEMBL. 7932543
MIC (functional) = 2.1 ug ml-1 The minimum inhibitory concentration was measured against Herpes simplex virus type 1 (KOS strain) on E6SM cells ChEMBL. 7932543
MIC (functional) = 4.5 ug ml-1 The minimum inhibitory concentration was measured on E6SM cells against Herpes simplex virus type 2 (G strain) ChEMBL. 7932543
MIC (functional) = 13 ug ml-1 The minimum inhibitory concentration was measured on E6SM cells against Herpes simplex virus type 2 (Lyons strain) ChEMBL. 7932543
MIC (functional) > 50 ug ml-1 The minimum inhibitory concentration was measured on E6SM cells against TK-Herpes simplex virus type 1 (B2006 strain) ChEMBL. 7932543
MIC (functional) > 50 ug ml-1 The minimum inhibitory concentration was measured on HEL cells against Varicella zoster virus (YS strain) ChEMBL. 7932543
MIC (functional) > 50 ug ml-1 The minimum inhibitory concentration was measured on HEL cells against Varicella zoster virus (OKA strain) ChEMBL. 7932543
MIC (functional) > 50 ug ml-1 The minimum inhibitory concentration was measured on HEL cells against TK-Varicella zoster virus (YS-R strain) ChEMBL. 7932543
MIC (functional) > 50 ug ml-1 The minimum inhibitory concentration was measured on HEL cells against TK-Varicella zoster virus (07/1 strain) ChEMBL. 7932543
MIC (functional) > 50 ug ml-1 The minimum inhibitory concentration was measured on HEL cells against Cytomegalovirus virus (Davis strain) ChEMBL. 7932543
MIC (functional) > 50 ug ml-1 The minimum inhibitory concentration was measured on HEL cells against Cytomegalovirus virus (AD-169 strain) ChEMBL. 7932543
MIC (functional) > 100 ug ml-1 The minimum inhibitory concentration was measured on E6SM cells for morphological alteration ChEMBL. 7932543
MIC (functional) > 100 ug ml-1 The minimum inhibitory concentration was measured on E6SM cells for morphological alteration ChEMBL. 7932543
MIC (functional) > 120 ug ml-1 The minimum inhibitory concentration was measured on E6SM cells against TK+/TK-Herpes simplex virus type 1 (VMW1837 strain) ChEMBL. 7932543
MIC (functional) > 150 ug ml-1 The minimum inhibitory concentration was measured on E6SM cells against Vaccinia virus ChEMBL. 7932543
MIC (functional) > 175 ug ml-1 The minimum inhibitory concentration was measured on E6SM cells against Vesicular stomatitis virus ChEMBL. 7932543
MIC (functional) > 200 ug ml-1 The minimum inhibitory concentration was measured on HEL cells in cell growth ChEMBL. 7932543
MIC (functional) > 200 ug ml-1 The minimum inhibitory concentration was measured on HEL cells in cell growth ChEMBL. 7932543

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.

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