Detailed information for compound 1615319

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 362.21 | Formula: C17H13Cl2N3O2
  • H donors: 2 H acceptors: 3 LogP: 4.05 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)O)c1nc(N)nc(c1)c1ccc(cc1Cl)Cl
  • InChi: 1S/C17H13Cl2N3O2/c1-24-10-3-5-12(16(23)7-10)15-8-14(21-17(20)22-15)11-4-2-9(18)6-13(11)19/h2-8,23H,1H3,(H2,20,21,22)
  • InChiKey: VLMXYFHYHZYMLI-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 diuretic hormone 44 receptor GPRdih2 0.0031 0.0089 0.0344
Echinococcus multilocularis X box binding protein 1 0.0283 0.1095 0.4251
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0054 0.021
Onchocerca volvulus 0.0148 0.0557 0.2034
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0165 0.1379
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.008 0.0285 0.1108
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0135 0.0505 0.1842
Brugia malayi MH1 domain containing protein 0.0016 0.0028 0.0101
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.0505 0.1959
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0014 0.0056
Echinococcus multilocularis smad 0.0016 0.0028 0.0107
Schistosoma mansoni cpg binding protein 0.0029 0.0081 0.0316
Brugia malayi hypothetical protein 0.0148 0.0557 0.2034
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0055 0.0288
Brugia malayi Pre-SET motif family protein 0.003 0.0084 0.0306
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0028 0.0107
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0089 0.0324
Chlamydia trachomatis protoporphyrinogen oxidase 0.0268 0.1036 1
Onchocerca volvulus 0.003 0.0084 0.0306
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0025 0.0098
Loa Loa (eye worm) histone methyltransferase 0.001 0.0003 0.001
Echinococcus granulosus transcription factor eb 0.0104 0.0381 0.148
Onchocerca volvulus 0.0694 0.2739 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0028 0.0107
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0179 0.1509
Brugia malayi isocitrate dehydrogenase 0.0015 0.0025 0.0092
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0089 0.0324
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0084 0.0575
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.0505 0.1959
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0055 0.029
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0268 0.1036 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0025 0.0098
Echinococcus granulosus GPCR family 2 0.0031 0.0089 0.0344
Schistosoma mansoni smad1 5 8 and 0.0016 0.0028 0.0107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.0505 0.1959
Echinococcus multilocularis geminin 0.033 0.1284 0.4985
Schistosoma mansoni intermediate filament proteins 0.0026 0.0068 0.0266
Echinococcus granulosus X box binding protein 1 0.0283 0.1095 0.4251
Echinococcus multilocularis GPCR, family 2 0.0031 0.0089 0.0344
Entamoeba histolytica SWIRM domain protein 0.0041 0.0128 1
Toxoplasma gondii SWIRM domain-containing protein 0.0041 0.0128 0.1006
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0089 0.0324
Schistosoma mansoni hypothetical protein 0.0283 0.1095 0.4251
Schistosoma mansoni hypothetical protein 0.0031 0.0089 0.0344
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0014 0.0056
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0165 1
Echinococcus multilocularis lamin dm0 0.0026 0.0068 0.0266
Onchocerca volvulus 0.008 0.0285 0.1042
Leishmania major hypothetical protein, conserved 0.005 0.0165 0.1379
Brugia malayi hypothetical protein 0.005 0.0165 0.0601
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.002 0.0073
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0268 0.1036 0.4022
Echinococcus multilocularis Smad4 0.0016 0.0028 0.0107
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0025 0.0092
Toxoplasma gondii histone lysine-specific demethylase 0.0268 0.1036 0.9934
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0135 0.0505 0.1842
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.002 0.0073
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.0505 0.1959
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.0783 0.286
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0084 0.0325
Trypanosoma cruzi UDP-galactopyranose mutase 0.0268 0.1036 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0025 0.0098
Schistosoma mansoni hypothetical protein 0.033 0.1284 0.4985
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0025 0.0098
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0084 0.0325
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0357 0.1305
Entamoeba histolytica hypothetical protein 0.0023 0.0055 0.4273
Onchocerca volvulus 0.0026 0.0068 0.025
Echinococcus granulosus L aminoadipate semialdehyde 0.008 0.0285 0.1108
Loa Loa (eye worm) hypothetical protein 0.0098 0.0357 0.1305
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0165 0.1379
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.0505 0.1959
Mycobacterium ulcerans monoamine oxidase 0.0268 0.1036 0.0987
Mycobacterium tuberculosis Possible oxidoreductase 0.0268 0.1036 0.1135
Echinococcus granulosus lysine specific histone demethylase 1A 0.0268 0.1036 0.4022
Echinococcus granulosus smad 0.0016 0.0028 0.0107
Leishmania major UDP-galactopyranose mutase 0.0268 0.1036 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0003 0.0011
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0025 0.0098
Schistosoma mansoni Smad4 0.0016 0.0028 0.0107
Brugia malayi amine oxidase, flavin-containing family protein 0.0309 0.1199 0.4379
Brugia malayi SWIRM domain containing protein 0.0694 0.2739 1
Mycobacterium ulcerans dehydrogenase 0.0268 0.1036 0.0987
Loa Loa (eye worm) MH2 domain-containing protein 0.0232 0.0894 0.3264
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.008 0.0285 0.1042
Echinococcus multilocularis protoporphyrinogen oxidase 0.0268 0.1036 0.4022
Giardia lamblia hypothetical protein 0.0041 0.0128 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0084 0.0325
Plasmodium vivax SET domain protein, putative 0.003 0.0084 0.0579
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0055 0.5
Echinococcus multilocularis 0.0268 0.1036 0.4022
Plasmodium falciparum protoporphyrinogen oxidase 0.0268 0.1036 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0028 0.0101
Echinococcus granulosus intermediate filament protein 0.0026 0.0068 0.0266
Loa Loa (eye worm) hypothetical protein 0.0694 0.2739 1
Loa Loa (eye worm) transcription factor SMAD2 0.0232 0.0894 0.3264
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0084 0.0325
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.0505 0.1959
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0028 0.0107
Entamoeba histolytica hypothetical protein 0.0041 0.0128 1
Schistosoma mansoni cpg binding protein 0.0028 0.0075 0.0292
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0025 0.0098
Brugia malayi CXXC zinc finger family protein 0.0028 0.0075 0.0274
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0068 0.025
Brugia malayi MH2 domain containing protein 0.0232 0.0894 0.3264
Schistosoma mansoni hypothetical protein 0.0031 0.0089 0.0344
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0084 0.0325
Onchocerca volvulus 0.0233 0.0896 0.3272
Loa Loa (eye worm) hypothetical protein 0.0148 0.0557 0.2034
Entamoeba histolytica SWIRM domain protein 0.0041 0.0128 1
Echinococcus granulosus Smad4 0.0016 0.0028 0.0107
Brugia malayi Smad1 0.0016 0.0028 0.0101
Schistosoma mansoni smad 0.0016 0.0028 0.0107
Loa Loa (eye worm) Smad1 0.0016 0.0028 0.0101
Schistosoma mansoni hypothetical protein 0.0022 0.0054 0.021
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0165 0.1369
Loa Loa (eye worm) hypothetical protein 0.0653 0.2575 0.9403
Loa Loa (eye worm) hypothetical protein 0.008 0.0285 0.1042
Trichomonas vaginalis set domain proteins, putative 0.0233 0.0896 1
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0165 0.1379
Loa Loa (eye worm) hypothetical protein 0.0067 0.0233 0.0851
Echinococcus multilocularis cpg binding protein 0.0029 0.0081 0.0316
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.2241 0.8928 1
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0055 0.5
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0054 0.021
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0268 0.1036 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0077 0.0299
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0104 0.0381 0.1392
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0357 0.1305
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0055 0.2104
Loa Loa (eye worm) hypothetical protein 0.0268 0.1036 0.3782
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0084 0.0325
Brugia malayi Pre-SET motif family protein 0.0205 0.0783 0.286
Schistosoma mansoni lamin 0.0026 0.0068 0.0266
Loa Loa (eye worm) hypothetical protein 0.005 0.0165 0.0601
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0104 0.0379 0.1385
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0089 0.0344
Echinococcus multilocularis lamin 0.0026 0.0068 0.0266
Loa Loa (eye worm) hypothetical protein 0.003 0.0084 0.0306
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0084 0.0325
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0204 0.0792
Plasmodium vivax hypothetical protein, conserved 0.0268 0.1036 1
Echinococcus granulosus lamin dm0 0.0026 0.0068 0.0266
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0068 0.025
Schistosoma mansoni smad1 5 8 and 0.0016 0.0028 0.0107
Loa Loa (eye worm) hypothetical protein 0.0031 0.0089 0.0324
Mycobacterium tuberculosis Conserved hypothetical protein 0.0268 0.1036 0.1135
Schistosoma mansoni amine oxidase 0.0268 0.1036 0.4022
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0268 0.1036 1
Schistosoma mansoni hypothetical protein 0.0031 0.0089 0.0344
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0075 0.0274
Loa Loa (eye worm) hypothetical protein 0.0026 0.0068 0.025
Echinococcus multilocularis L aminoadipate semialdehyde 0.008 0.0285 0.1108
Echinococcus granulosus lysine specific histone demethylase 1A 0.0653 0.2575 1
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0165 0.1379
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0028 0.0107
Loa Loa (eye worm) hypothetical protein 0.0104 0.0379 0.1385
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0653 0.2575 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0653 0.2575 1
Brugia malayi intermediate filament protein 0.0026 0.0068 0.025
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0046
Brugia malayi hypothetical protein 0.0032 0.0094 0.0342
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0055 0.029
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0089 0.0344
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0268 0.1036 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0055 0.0033
Echinococcus granulosus geminin 0.033 0.1284 0.4985
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0268 0.1036 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0055 0.0288
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0268 0.1036 0.0987
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0003 0.0011
Schistosoma mansoni lamin 0.0026 0.0068 0.0266
Onchocerca volvulus 0.0028 0.0075 0.0274
Brugia malayi SWIRM domain containing protein 0.0041 0.0128 0.0466
Echinococcus multilocularis transcription factor eb 0.0104 0.0381 0.148
Trypanosoma cruzi UDP-galactopyranose mutase 0.0268 0.1036 1
Loa Loa (eye worm) hypothetical protein 0.0268 0.1036 0.3782
Loa Loa (eye worm) hypothetical protein 0.0012 0.0013 0.0046
Loa Loa (eye worm) hypothetical protein 0.0653 0.2575 0.9403
Echinococcus granulosus SWI:SNF complex subunit SMARCC2 0.0041 0.0128 0.0496
Schistosoma mansoni amine oxidase 0.0268 0.1036 0.4022
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0089 0.0344
Loa Loa (eye worm) hypothetical protein 0.0041 0.0128 0.0466
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0233 0.0851
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0028 0.0107
Schistosoma mansoni smad1 5 8 and 0.0016 0.0028 0.0107
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0055 0.029
Loa Loa (eye worm) hypothetical protein 0.0013 0.0014 0.0053
Mycobacterium ulcerans oxidoreductase 0.0268 0.1036 0.0987
Brugia malayi hypothetical protein 0.0268 0.1036 0.3782
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0068 0.025
Schistosoma mansoni cpg binding protein 0.0029 0.0081 0.0316
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0002 0.0009
Brugia malayi MH1 domain containing protein 0.0016 0.0028 0.0101
Onchocerca volvulus 0.0026 0.0068 0.025
Schistosoma mansoni SWI/SNF complex-related 0.0041 0.0128 0.0496
Echinococcus multilocularis musashi 0.0026 0.0068 0.0266
Brugia malayi MH2 domain containing protein 0.0016 0.0028 0.0101
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0165 0.1379
Schistosoma mansoni hypothetical protein 0.033 0.1284 0.4985
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0357 0.1305
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.027 0.1043 1
Echinococcus granulosus lamin 0.0026 0.0068 0.0266
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.0505 0.1959
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0028 0.0101
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0025 0.0098
Brugia malayi MH2 domain containing protein 0.0016 0.0028 0.0101
Echinococcus granulosus cpg binding protein 0.0029 0.0081 0.0316
Schistosoma mansoni hypothetical protein 0.0031 0.0089 0.0344
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0025 0.0092
Plasmodium vivax hypothetical protein, conserved 0.0268 0.1036 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0066 0.0243
Echinococcus multilocularis SWI:SNF complex subunit SMARCC2 0.0041 0.0128 0.0496
Loa Loa (eye worm) hypothetical protein 0.0309 0.1199 0.4379
Schistosoma mansoni hypothetical protein 0.0067 0.0233 0.0905

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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