Detailed information for compound 1576534

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 307.739 | Formula: C12H14ClN7O
  • H donors: 4 H acceptors: 3 LogP: 1.01 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)NC(=O)c1nc(c2ccccc2)c(nc1N)N.Cl
  • InChi: 1S/C12H13N7O.ClH/c13-9-7(6-4-2-1-3-5-6)17-8(10(14)18-9)11(20)19-12(15)16;/h1-5H,(H4,13,14,18)(H4,15,16,19,20);1H
  • InChiKey: BTOLWRQFLLFRER-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens plasminogen activator, urokinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus Mastin plasminogen activator, urokinase 414 aa 340 aa 24.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0016 0.2231 0.1927
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.5483 0.5306
Loa Loa (eye worm) TAR-binding protein 0.0062 1 1
Schistosoma mansoni hypothetical protein 0.0015 0.2148 0.1841
Giardia lamblia Kinase, NEK-frag 0.0003 0 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.2148 0.1841
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.5506 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.1411 0.1075
Plasmodium falciparum cysteine repeat modular protein 1 0.0035 0.5506 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.517 0.4981
Giardia lamblia Kinase, NEK 0.0003 0 0.5
Schistosoma mansoni hypothetical protein 0.0011 0.1411 0.1075
Schistosoma mansoni hypothetical protein 0.0035 0.5506 0.533
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.517 0.4981
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Onchocerca volvulus 0.0035 0.5506 1
Schistosoma mansoni hypothetical protein 0.0035 0.5483 0.5306
Brugia malayi hypothetical protein 0.0025 0.3705 0.3459
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.2148 0.1841
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0035 0.5506 1
Trichomonas vaginalis serine threonine-protein kinase, putative 0.0051 0.8047 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.2148 0.1841
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.8047 1
Echinococcus granulosus tissue type plasminogen activator 0.0035 0.5506 0.533
Brugia malayi Kringle domain containing protein 0.0035 0.5506 0.533
Brugia malayi Latrophilin receptor protein 2 0.0015 0.2148 0.1841
Entamoeba histolytica protein kinase, putative 0.0051 0.8099 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.3705 0.3459
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.1411 0.1075
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.5483 0.5306
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.8099 0.8025
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.5483 0.5306
Loa Loa (eye worm) RNA binding protein 0.0062 1 1
Echinococcus multilocularis serine:threonine protein kinase:endoribonuclease 0.0051 0.8099 0.8025
Brugia malayi TAR-binding protein 0.0062 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.2148 0.1841
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.7773 0.7686
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.7773 0.7686
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.2148 0.1841
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.2148 0.1841
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.3705 0.5
Giardia lamblia Kinase, NEK 0.0003 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Echinococcus granulosus serine:threonine protein kinase:endoribonuclease 0.0051 0.8099 0.8025
Schistosoma mansoni hypothetical protein 0.0015 0.2148 0.1841
Echinococcus granulosus tar DNA binding protein 0.0062 1 1
Brugia malayi Ribonuclease 2-5A family protein 0.0051 0.8099 0.8025
Loa Loa (eye worm) IRE protein kinase 0.0051 0.8099 0.8025
Leishmania major hypothetical protein, conserved 0.0035 0.5506 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.7773 0.7686
Giardia lamblia Kinase, NEK 0.0003 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 1 1
Mycobacterium ulcerans hypothetical protein 0.0005 0.0377 0.5
Giardia lamblia Kinase, NEK 0.0003 0 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.2148 0.1841
Brugia malayi hypothetical protein 0.0035 0.5483 0.5306
Echinococcus granulosus GPCR family 2 0.0015 0.2148 0.1841
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.7773 0.7686
Loa Loa (eye worm) TK/ROR protein kinase 0.0035 0.5506 0.533
Schistosoma mansoni tar DNA-binding protein 0.0062 1 1
Entamoeba histolytica protein kinase, putative 0.0051 0.8099 1
Toxoplasma gondii kringle domain-containing protein 0.0035 0.5506 1
Echinococcus multilocularis tissue type plasminogen activator 0.0035 0.5506 0.533
Echinococcus multilocularis tar DNA binding protein 0.0062 1 1
Brugia malayi Protein kinase domain containing protein 0.0035 0.5506 0.533
Loa Loa (eye worm) hypothetical protein 0.0033 0.517 0.4981
Loa Loa (eye worm) hypothetical protein 0.0035 0.5506 0.533
Schistosoma mansoni hypothetical protein 0.0015 0.2148 0.1841
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.2148 0.1841
Echinococcus multilocularis GPCR, family 2 0.0015 0.2148 0.1841

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 10 uM Inhibition of urokinase-type plasminogen activator ChEMBL. 21978672

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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