Detailed information for compound 1601079

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 375.811 | Formula: C20H14ClN5O
  • H donors: 2 H acceptors: 3 LogP: 2.78 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1n(Cc2ccnc(c2)N)c2c(c1c1ccc[nH]c1=O)cc(cc2)Cl
  • InChi: 1S/C20H14ClN5O/c21-13-3-4-16-15(9-13)19(14-2-1-6-25-20(14)27)17(10-22)26(16)11-12-5-7-24-18(23)8-12/h1-9H,11H2,(H2,23,24)(H,25,27)
  • InChiKey: NGKZTDNOHWUZSL-UHFFFAOYSA-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) latrophilin receptor protein 2 0.0085 0.1095 0.1095
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0682 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0682 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0682 1 1
Echinococcus granulosus GPCR family 2 0.0085 0.1095 0.1095
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0682 1 1
Onchocerca volvulus 0.0682 1 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0682 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.0373 0.5
Echinococcus multilocularis transmembrane protease serine 3 0.0682 1 1
Mycobacterium ulcerans hypothetical protein 0.0682 1 0.5
Brugia malayi Latrophilin receptor protein 2 0.0085 0.1095 0.1095
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0682 1 1
Echinococcus granulosus enteropeptidase 0.0682 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0335 0.0335
Echinococcus granulosus glycoprotein Antigen 5 0.0682 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0682 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0464 0.0464
Loa Loa (eye worm) hypothetical protein 0.0183 0.256 0.256
Loa Loa (eye worm) hypothetical protein 0.0268 0.3822 0.3822
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0085 0.1095 0.1095
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.0411 0.0411
Brugia malayi Trypsin family protein 0.0682 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0682 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0085 0.1095 0.1095
Echinococcus granulosus Mastin 0.0682 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0682 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0085 0.1095 0.1095
Brugia malayi hypothetical protein 0.0682 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0682 1 1
Loa Loa (eye worm) hypothetical protein 0.0682 1 1
Schistosoma mansoni hypothetical protein 0.0085 0.1095 0.1095
Schistosoma mansoni cercarial elastase (S01 family) 0.0682 1 1
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0682 1 1
Onchocerca volvulus 0.0682 1 0.5
Echinococcus multilocularis Mastin 0.0682 1 1
Brugia malayi Trypsin family protein 0.0682 1 1
Schistosoma mansoni hypothetical protein 0.0682 1 1
Schistosoma mansoni hypothetical protein 0.0085 0.1095 0.1095
Echinococcus multilocularis GPCR, family 2 0.0085 0.1095 0.1095
Onchocerca volvulus 0.0682 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0682 1 1
Echinococcus multilocularis enteropeptidase 0.0682 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.0411 0.0411
Schistosoma mansoni hypothetical protein 0.0085 0.1095 0.1095
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0085 0.1095 0.1095
Brugia malayi Trypsin-like protease protein 5 0.0682 1 1
Onchocerca volvulus 0.0682 1 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0085 0.1095 0.1095
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0268 0.3822 0.3822
Loa Loa (eye worm) hypothetical protein 0.0682 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0682 1 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.1095 0.1095
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0682 1 1
Onchocerca volvulus 0.0682 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0268 0.3822 0.3822
Brugia malayi Calcitonin receptor-like protein seb-1 0.0268 0.3822 0.3822
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.0411 0.0411
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0682 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0682 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.0373 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.0411 0.0411
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0682 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0682 1 1
Loa Loa (eye worm) hypothetical protein 0.0682 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0682 1 1
Schistosoma mansoni hypothetical protein 0.0085 0.1095 0.1095
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0682 1 1
Schistosoma mansoni hypothetical protein 0.0682 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0682 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0682 1 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0682 1 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0682 1 1
Loa Loa (eye worm) hypothetical protein 0.0682 1 1
Loa Loa (eye worm) trypsin family protein 0.0682 1 1
Echinococcus granulosus transmembrane protease serine 3 0.0682 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0464 0.0464
Schistosoma mansoni hypothetical protein 0.0183 0.256 0.256
Loa Loa (eye worm) hypothetical protein 0.0682 1 1
Echinococcus multilocularis glycoprotein Antigen 5 0.0682 1 1
Loa Loa (eye worm) hypothetical protein 0.0682 1 1
Brugia malayi Trypsin family protein 0.0682 1 1
Onchocerca volvulus 0.0682 1 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0183 0.256 0.256

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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