Detailed information for compound 1020892

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 307.777 | Formula: C18H14ClN3
  • H donors: 2 H acceptors: 1 LogP: 4.76 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1CNc1ncc2c(c1)c1ccccc1[nH]2
  • InChi: 1S/C18H14ClN3/c19-15-7-3-1-5-12(15)10-20-18-9-14-13-6-2-4-8-16(13)22-17(14)11-21-18/h1-9,11,22H,10H2,(H,20,21)
  • InChiKey: IDFDGQMNVDQNTK-UHFFFAOYSA-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
Echinococcus multilocularis geminin 0.0168 0.7064 0.8671
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.1906 1
Brugia malayi TAR-binding protein 0.0193 0.8142 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0413 0.0474
Trichomonas vaginalis esterase, putative 0.0037 0.132 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.132 1
Echinococcus multilocularis ferritin 0.0008 0.0077 0.006
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.132 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0694 0.0821
Brugia malayi hypothetical protein 0.0032 0.1127 0.1307
Mycobacterium leprae Probable lipase LipE 0.0037 0.132 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.055 1
Schistosoma mansoni tar DNA-binding protein 0.0193 0.8142 1
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.1906 0.8512
Schistosoma mansoni hypothetical protein 0.0016 0.0413 0.0474
Echinococcus granulosus expressed protein 0.0008 0.0077 0.006
Loa Loa (eye worm) hypothetical protein 0.005 0.1906 0.2272
Loa Loa (eye worm) hypothetical protein 0.0148 0.6192 0.7584
Leishmania major hypothetical protein, conserved 0.005 0.1906 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0193 0.8142 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0413 0.0474
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0072 0.0055
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0413 0.0422
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0413 0.0474
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1934 0.2306
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.132 0.5675
Mycobacterium ulcerans hypothetical protein 0.0037 0.132 1
Plasmodium vivax hypothetical protein, conserved 0.0037 0.132 0.5675
Schistosoma mansoni hypothetical protein 0.0016 0.0413 0.0474
Mycobacterium ulcerans lipase LipD 0.0037 0.132 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.055 0.3809
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.123 0.1434
Schistosoma mansoni cpg binding protein 0.0031 0.1067 0.128
Loa Loa (eye worm) hypothetical protein 0.0051 0.1934 0.2306
Echinococcus multilocularis smad 0.0008 0.0072 0.0055
Schistosoma mansoni apoferritin-2 0.0008 0.0077 0.006
Echinococcus granulosus tar DNA binding protein 0.0193 0.8142 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.2143 1
Toxoplasma gondii ABC1 family protein 0.0037 0.132 0.483
Schistosoma mansoni ap endonuclease 0.0019 0.055 0.0644
Schistosoma mansoni smad1 5 8 and 0.0008 0.0072 0.0055
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.5043 0.616
Echinococcus granulosus muscleblind protein 0.0148 0.6192 0.7597
Echinococcus multilocularis Smad4 0.0008 0.0072 0.0055
Mycobacterium tuberculosis Conserved protein 0.0037 0.132 0.1252
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.132 0.1252
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0072 0.0055
Leishmania major hypothetical protein, conserved 0.0037 0.132 0.5675
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.132 0.5675
Schistosoma mansoni tar DNA-binding protein 0.0193 0.8142 1
Trichomonas vaginalis ferritin, putative 0.0008 0.0077 0.0582
Schistosoma mansoni hypothetical protein 0.0168 0.7064 0.8671
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.055 0.0592
Schistosoma mansoni ferritin 0.0008 0.0077 0.006
Schistosoma mansoni ap endonuclease 0.0019 0.055 0.0644
Schistosoma mansoni hypothetical protein 0.0016 0.0413 0.0474
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.132 0.1592
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.055 0.0592
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.1906 1
Echinococcus multilocularis muscleblind protein 0.0148 0.6192 0.7597
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.055 1
Echinococcus multilocularis tar DNA binding protein 0.0193 0.8142 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0413 0.0474
Brugia malayi Muscleblind-like protein 0.0148 0.6192 0.7584
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.1906 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0413 0.0422
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0072 0.0055
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1934 0.2306
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.055 0.0644
Loa Loa (eye worm) hypothetical protein 0.0016 0.0413 0.0422
Schistosoma mansoni ferritin 0.0008 0.0077 0.006
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.055 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.055 0.0477
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.132 0.5675
Loa Loa (eye worm) hypothetical protein 0.0037 0.132 0.1546
Onchocerca volvulus 0.0037 0.132 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0106 0.0097
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0106 0.0042
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0101 0.0036
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.2434 0.2965
Brugia malayi CXXC zinc finger family protein 0.0029 0.0994 0.1142
Mycobacterium tuberculosis Conserved protein 0.0037 0.132 0.1252
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.132 0.1592
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.1906 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.055 0.5
Echinococcus granulosus Smad4 0.0008 0.0072 0.0055
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0106 0.0097
Schistosoma mansoni tar DNA-binding protein 0.0193 0.8142 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.055 0.417
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0413 0.0422
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.132 0.1592
Echinococcus multilocularis muscleblind protein 1 0.0148 0.6192 0.7597
Schistosoma mansoni tar DNA-binding protein 0.0193 0.8142 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.132 0.1546
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.132 0.1546
Mycobacterium ulcerans beta-lactamase 0.0037 0.132 1
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.1906 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.5043 0.616
Brugia malayi MH2 domain containing protein 0.0122 0.5043 0.616
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.055 0.0644
Onchocerca volvulus 0.0037 0.132 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.132 0.1592
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0072 0.0055
Echinococcus granulosus ferritin 0.0008 0.0077 0.006
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0994 0.1142
Echinococcus granulosus geminin 0.0168 0.7064 0.8671
Schistosoma mansoni ferritin 0.0008 0.0077 0.006
Loa Loa (eye worm) hypothetical protein 0.0037 0.132 0.1546
Schistosoma mansoni smad1 5 8 and 0.0008 0.0072 0.0055
Onchocerca volvulus 0.0037 0.132 1
Mycobacterium leprae conserved hypothetical protein 0.0037 0.132 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.123 0.1434
Schistosoma mansoni hypothetical protein 0.0168 0.7064 0.8671
Loa Loa (eye worm) TAR-binding protein 0.0193 0.8142 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.6192 0.7584
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.132 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0072 0.0055
Schistosoma mansoni smad 0.0008 0.0072 0.0055
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.132 0.1252
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.132 0.1252
Brugia malayi RNA binding protein 0.0193 0.8142 1
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.132 1
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.1906 1
Echinococcus multilocularis cpg binding protein 0.0031 0.1067 0.128
Brugia malayi beta-lactamase family protein 0.0037 0.132 0.1546
Brugia malayi hypothetical protein 0.005 0.1906 0.2272
Schistosoma mansoni smad1 5 8 and 0.0008 0.0072 0.0055
Schistosoma mansoni hypothetical protein 0.0016 0.0413 0.0474
Loa Loa (eye worm) hypothetical protein 0.0037 0.132 0.1546
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.132 1
Schistosoma mansoni hypothetical protein 0.0023 0.0694 0.0821
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.132 0.1252
Echinococcus multilocularis expressed protein 0.0008 0.0077 0.006
Schistosoma mansoni cpg binding protein 0.0029 0.0994 0.119
Brugia malayi beta-lactamase family protein 0.0037 0.132 0.1546
Schistosoma mansoni ferritin light chain 0.0008 0.0077 0.006
Schistosoma mansoni ferritin light chain 0.0008 0.0077 0.006
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0694 0.0821
Echinococcus granulosus GPCR family 2 0.0016 0.0413 0.0474
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.132 0.1252
Loa Loa (eye worm) hypothetical protein 0.0037 0.132 0.1546
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.055 0.417
Schistosoma mansoni apoferritin-2 0.0008 0.0077 0.006
Loa Loa (eye worm) hypothetical protein 0.0037 0.132 0.1546
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.1934 0.2306
Echinococcus granulosus smad 0.0008 0.0072 0.0055
Schistosoma mansoni Smad4 0.0008 0.0072 0.0055
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0413 0.0474
Brugia malayi RNA recognition motif domain containing protein 0.0193 0.8142 1
Schistosoma mansoni hypothetical protein 0.0035 0.123 0.1481
Schistosoma mansoni ferritin 0.0008 0.0077 0.006
Loa Loa (eye worm) hypothetical protein 0.0037 0.132 0.1546
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.132 0.1252
Schistosoma mansoni cpg binding protein 0.0031 0.1067 0.128
Loa Loa (eye worm) beta-lactamase 0.0037 0.132 0.1546
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.132 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.132 0.1252
Brugia malayi beta-lactamase 0.0037 0.132 0.1546
Echinococcus granulosus cpg binding protein 0.0031 0.1067 0.128
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.132 0.1252
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.132 1
Loa Loa (eye worm) RNA binding protein 0.0193 0.8142 1
Schistosoma mansoni tar DNA-binding protein 0.0193 0.8142 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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