Detailed information for compound 2073201

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.815 | Formula: C16H19ClN6O
  • H donors: 4 H acceptors: 3 LogP: 2.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)Nc1nc(cnc1C(=O)N)N[C@@H]1CCCNC1
  • InChi: 1S/C16H19ClN6O/c17-10-3-1-4-11(7-10)22-16-14(15(18)24)20-9-13(23-16)21-12-5-2-6-19-8-12/h1,3-4,7,9,12,19H,2,5-6,8H2,(H2,18,24)(H2,21,22,23)/t12-/m1/s1
  • InChiKey: KETVDYPMYWKUPE-GFCCVEGCSA-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
Brugia malayi Cytochrome P450 family protein 0.0014 0.0004 0.0026
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0021 0.0089
Giardia lamblia Hypothetical protein 0.05 0.1634 0.1712
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0031 0.0031
Leishmania major cathepsin L-like protease 0.0019 0.0021 0.0187
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0031 0.0295
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.217
Leishmania major cathepsin L-like protease 0.0019 0.0021 0.0187
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.0021 0.0131
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0021 0.0089
Leishmania major cathepsin L-like protease 0.0019 0.0021 0.0187
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0019 0.0021 0.0131
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0021 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.05 0.1634 0.6846
Echinococcus granulosus dna polymerase eta 0.0022 0.0031 0.0031
Entamoeba histolytica hypothetical protein 0.05 0.1634 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0072 0.0051
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.0099 0.0099
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0031 0.0295
Trypanosoma cruzi thymidine kinase, putative 0.0287 0.0919 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0042 0.0099 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0031 0.0295
Loa Loa (eye worm) inositol-1 0.0042 0.0099 0.0607
Trypanosoma brucei thymidine kinase 0.0287 0.0919 1
Entamoeba histolytica hypothetical protein 0.05 0.1634 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.1166 0.3866 0.4095
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0099 0.1038
Brugia malayi Cathepsin L-like precursor 0.0019 0.0021 0.0131
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0021 0.0131
Toxoplasma gondii cathepsin CPC2 0.0445 0.1447 0.3709
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.05 0.1634 0.1634
Schistosoma mansoni DNA polymerase eta 0.0022 0.0031 0.0031
Onchocerca volvulus Cathepsin L homolog 0.0019 0.0021 0.0245
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.217
Entamoeba histolytica hypothetical protein 0.05 0.1634 1
Leishmania major cathepsin L-like protease 0.0073 0.0203 0.217
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.217
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.05 0.1634 1
Entamoeba histolytica hypothetical protein 0.05 0.1634 1
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0031 0.0191
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0203 0.217
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0031 0.0295
Onchocerca volvulus 0.0019 0.0021 0.0245
Trypanosoma cruzi cruzipain precursor, putative 0.0073 0.0203 0.217
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0031 0.0295
Entamoeba histolytica hypothetical protein 0.05 0.1634 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0021 0.0089
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0021 0.0089
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.217
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0021 0.0089
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0031 0.0295
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.0099 0.0078
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.217
Brugia malayi Cathepsin L-like precursor 0.0019 0.0021 0.0131
Loa Loa (eye worm) fibroinase 0.0019 0.0021 0.0131
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0725 0.2387 1
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0021 0.0021
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0021 0.0089
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0072 0.0131
Brugia malayi Cathepsin L-like precursor 0.0019 0.0021 0.0131
Trypanosoma cruzi cysteine peptidase, putative 0.0019 0.0021 0.0187
Giardia lamblia Hypothetical protein 0.05 0.1634 0.1712
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0031 0.0295
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.1166 0.3866 0.3866
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0099 0.1038
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0021 0.0089
Giardia lamblia Deoxyguanosine kinase/deoxyadenosine kinase subunit, putative 0.05 0.1634 0.1712
Echinococcus granulosus NADH ubiquinone oxidoreductase 42 kDa subunit 0.05 0.1634 0.1634
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0031 0.0191
Entamoeba histolytica hypothetical protein 0.05 0.1634 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0038 0.0084 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0019 0.0021 0.0089
Trichomonas vaginalis set domain proteins, putative 0.0272 0.087 0.3644
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0031 0.0295
Echinococcus granulosus cathepsin L cysteine proteinase 0.0019 0.0021 0.0021
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0072 0.0072
Brugia malayi Deoxynucleoside kinase family protein 0.05 0.1634 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0031 0.0295
Onchocerca volvulus 0.0019 0.0021 0.0245
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0021 0.0089
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.217
Onchocerca volvulus 0.0019 0.0021 0.0245
Onchocerca volvulus 0.0034 0.0072 0.0826
Entamoeba histolytica hypothetical protein 0.05 0.1634 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0072 0.0051
Leishmania major cathepsin L-like protease 0.0019 0.0021 0.0187
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0072 0.0072
Entamoeba histolytica hypothetical protein 0.05 0.1634 1
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0031 0.0295
Loa Loa (eye worm) deoxynucleoside kinase 0.05 0.1634 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0072 0.0072
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0031 0.0295
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0021 0.0089
Onchocerca volvulus 0.0272 0.087 1
Echinococcus granulosus dna polymerase kappa 0.0022 0.0031 0.0031
Loa Loa (eye worm) cytochrome P450 family protein 0.0014 0.0004 0.0026
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0031 0.0031
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0031 0.0295
Loa Loa (eye worm) hypothetical protein 0.0022 0.0031 0.0191
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.217
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0031 0.2841
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0031 0.0295
Toxoplasma gondii preprocathepsin c precursor, putative 0.1166 0.3866 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0019 0.0021 0.0089
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0021 0.0089
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0031 0.001
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0445 0.1447 0.3709
Echinococcus multilocularis thymidine kinase 0.2996 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0021 0.0089
Loa Loa (eye worm) hypothetical protein 0.0019 0.0021 0.0131
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0021 0.0089
Trypanosoma brucei unspecified product 0.0015 0.0008 0.0043
Echinococcus multilocularis transfer RNA-Ile 0.2996 1 1
Giardia lamblia Encystation-specific protease 0.0445 0.1447 0.1513
Schistosoma mansoni thymidine kinase 0.2996 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0008 0.0043
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0031 0.0295
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0021 0.0021
Leishmania major cysteine peptidase A (CPA) 0.0019 0.0021 0.0187
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0042 0.0099 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0099 0.0415
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0021 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.05 0.1634 0.6846
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0203 0.217
Onchocerca volvulus 0.0019 0.0021 0.0245
Onchocerca volvulus Cathepsin L homolog 0.0019 0.0021 0.0245
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0031 0.0295
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0031 0.0031
Brugia malayi Inositol-1 0.0042 0.0099 0.0607
Schistosoma mansoni inositol monophosphatase 0.0042 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0034 0.0072 0.044
Loa Loa (eye worm) ctsf protein 0.0019 0.0021 0.0131
Trypanosoma brucei unspecified product 0.0022 0.0031 0.0295
Leishmania major cathepsin L-like protease 0.0073 0.0203 0.217
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0021 0.0089
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0099 0.0415
Leishmania major cathepsin L-like protease 0.0073 0.0203 0.217
Toxoplasma gondii cathepsin CPC1 0.1166 0.3866 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.05 0.1634 1
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0445 0.1447 0.3709
Trypanosoma cruzi thymidine kinase, putative 0.0287 0.0919 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0031 0.0295
Trichomonas vaginalis conserved hypothetical protein 0.05 0.1634 0.6846
Trichomonas vaginalis thymidine kinase, putative 0.0287 0.0919 0.3849
Brugia malayi Cytochrome P450 family protein 0.0014 0.0004 0.0026
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0021 0.0089
Echinococcus multilocularis thymidine kinase 0.2996 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0021 0.0089
Echinococcus multilocularis NADH ubiquinone oxidoreductase 42 kDa subunit 0.05 0.1634 0.1616
Leishmania major DNA polymerase kappa, putative 0.0022 0.0031 0.0295
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0239 0.0759 0.4644
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.1166 0.3866 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0042 0.0099 0.0415
Echinococcus granulosus cathepsin l1 0.0019 0.0021 0.0021
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0019 0.0021 0.0131
Entamoeba histolytica hypothetical protein 0.05 0.1634 1
Echinococcus granulosus thymidine kinase 0.2996 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0008 0.0043
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0067 0.0181 0.1937
Brugia malayi Cathepsin L-like precursor 0.0019 0.0021 0.0131
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0021 0.0089
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0031 0.0295
Trypanosoma brucei unspecified product 0.0015 0.0008 0.0043
Leishmania major cathepsin L-like protease 0.0019 0.0021 0.0187
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0099 0.1038
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0031 0.2841
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0031 0.0295
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0068 0.0068
Plasmodium vivax SET domain protein, putative 0.0034 0.0072 0.0131
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0031 0.0131
Brugia malayi Cathepsin L-like precursor 0.0019 0.0021 0.0131
Schistosoma mansoni hypothetical protein 0.0059 0.0156 0.0156
Onchocerca volvulus 0.0019 0.0021 0.0245
Brugia malayi Pre-SET motif family protein 0.0239 0.0759 0.4644
Loa Loa (eye worm) cysteine protease 0.0019 0.0021 0.0131
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0021 0.0089
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0072 0.0072
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0021 0.0089
Echinococcus multilocularis dna polymerase eta 0.0022 0.0031 0.001
Echinococcus granulosus cathepsin l cysteine peptidase 0.0019 0.0021 0.0021
Entamoeba histolytica cysteine protease, putative 0.0019 0.0021 0.0131
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.05 0.1634 1
Onchocerca volvulus Cathepsin F homolog 0.0019 0.0021 0.0245
Brugia malayi Pre-SET motif family protein 0.0034 0.0072 0.044
Trichomonas vaginalis thymidine kinase, putative 0.0287 0.0919 0.3849
Giardia lamblia Thymidine kinase 0.0287 0.0919 0.0948
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0021 0.0089
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.1166 0.3866 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0031 0.0191
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0445 0.1447 0.1513
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0072 0.0072
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0445 0.1447 0.1513
Schistosoma mansoni inositol monophosphatase 0.0042 0.0099 0.0099
Giardia lamblia Deoxynucleoside kinase 0.2815 0.9394 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0099 0.1038
Loa Loa (eye worm) cytochrome P450 family protein 0.0014 0.0004 0.0026
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0031 0.0295
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.0099 0.0202
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0021 0.0089
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0031 0.0131
Entamoeba histolytica thymidine kinase, putative 0.0287 0.0919 0.5622
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0008 0.0043
Leishmania major DNA polymerase eta, putative 0.0022 0.0031 0.0295
Onchocerca volvulus 0.0019 0.0021 0.0245
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0042 0.0099 0.0607
Onchocerca volvulus 0.0019 0.0021 0.0245
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.1166 0.3866 1
Brugia malayi Cathepsin L-like precursor 0.0019 0.0021 0.0131
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0031 0.0191
Trichomonas vaginalis conserved hypothetical protein 0.05 0.1634 0.6846
Trichomonas vaginalis thymidine kinase, putative 0.0287 0.0919 0.3849
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.1166 0.3866 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.217
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0203 0.217
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.217
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.217
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0038 0.0084 1
Trichomonas vaginalis conserved hypothetical protein 0.05 0.1634 0.6846
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.217
Loa Loa (eye worm) CYP4Cod1 0.0014 0.0004 0.0026
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0021 0.0131
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0031 0.001
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0021 0.0089
Leishmania major thymidine kinase, putative 0.0287 0.0919 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0031 0.0295
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.05 0.1634 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0058 0.015 0.1595
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.2996 1 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.
 
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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