Detailed information for compound 2069212

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 312.818 | Formula: C13H17ClN4OS
  • H donors: 1 H acceptors: 2 LogP: 2.1 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cn1cccn1)NC(=O)N(Cc1ccc(s1)Cl)C
  • InChi: 1S/C13H17ClN4OS/c1-10(8-18-7-3-6-15-18)16-13(19)17(2)9-11-4-5-12(14)20-11/h3-7,10H,8-9H2,1-2H3,(H,16,19)
  • InChiKey: LIAFXOCZIKFJCN-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 pyruvate kinase 0.0017 0.0237 0.0361
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.1807 0.1675
Loa Loa (eye worm) hypothetical protein 0.0038 0.1069 0.0926
Giardia lamblia Fructose-bisphosphate aldolase 0.0187 0.708 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.1554 0.2047
Schistosoma mansoni hypothetical protein 0.0018 0.027 0.0412
Brugia malayi Pyruvate kinase, M2 isozyme 0.0021 0.0418 0.0159
Schistosoma mansoni pyruvate kinase 0.0021 0.0418 0.0636
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0091 0.3233 1
Trypanosoma brucei pyruvate kinase 1 0.0021 0.0418 0.0572
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0174 0.6572 1
Echinococcus granulosus fructose bisphosphate aldolase class I 0.0174 0.6572 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0263 0.0106
Onchocerca volvulus Pyruvate kinase homolog 0.0021 0.0418 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.1554 0.2313
Leishmania major pyruvate kinase 0.0021 0.0418 0.0246
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0365 0.0491
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.1554 0.2313
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.0583 0.0825
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0174 0.6572 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.1096 0.0856
Giardia lamblia DINP protein human, muc B family 0.0025 0.0583 0.0823
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0579 0.0428
Toxoplasma gondii pyruvate kinase PyK1 0.0021 0.0418 0.0636
Giardia lamblia Pyruvate kinase 0.0021 0.0418 0.059
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.1554 0.2313
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0017 0.0263 0.0399
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.1554 0.2047
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.027 0.0412
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0174 0.6572 1
Brugia malayi Latrophilin receptor protein 2 0.0018 0.027 0.0008
Echinococcus granulosus dna polymerase eta 0.0017 0.0263 0.0399
Entamoeba histolytica deoxycytidyl transferase, putative 0.0017 0.0263 0.0151
Loa Loa (eye worm) hypothetical protein 0.0056 0.1807 0.1675
Loa Loa (eye worm) hypothetical protein 0.0038 0.1096 0.0953
Echinococcus multilocularis fructose bisphosphate aldolase class I 0.0174 0.6572 1
Plasmodium falciparum fructose-bisphosphate aldolase 0.0174 0.6572 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0017 0.0263 0.0399
Echinococcus granulosus pyruvate kinase 0.0021 0.0418 0.0636
Onchocerca volvulus Pyruvate kinase homolog 0.0021 0.0418 0.5
Echinococcus multilocularis GPCR, family 2 0.0018 0.027 0.0412
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0365 0.0491
Trypanosoma cruzi pyruvate kinase 2, putative 0.0021 0.0418 0.0246
Trypanosoma cruzi pyruvate kinase 2, putative 0.0021 0.0418 0.0246
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0091 0.3233 1
Treponema pallidum fructose-bisphosphate aldolase 0.0187 0.708 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0187 0.708 1
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0174 0.6572 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.1069 0.157
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.027 0.0008
Echinococcus granulosus pyruvate kinase 0.0021 0.0418 0.0636
Echinococcus granulosus dna polymerase kappa 0.005 0.1554 0.2365
Schistosoma mansoni hypothetical protein 0.0018 0.027 0.0412
Echinococcus granulosus GPCR family 2 0.0018 0.027 0.0412
Brugia malayi fructose-bisphosphate aldolase 2 0.0174 0.6572 0.6479
Chlamydia trachomatis pyruvate kinase 0.0021 0.0418 0.5
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0013 0.0098 0.0149
Leishmania major DNA polymerase kappa, putative 0.0025 0.0583 0.0508
Brugia malayi Pyruvate kinase, muscle isozyme 0.0021 0.0418 0.0159
Loa Loa (eye worm) fructose-bisphosphate aldolase 2 0.0174 0.6572 0.6517
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0187 0.708 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0025 0.0583 0.1079
Schistosoma mansoni hypothetical protein 0.0018 0.027 0.0412
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.027 0.0412
Leishmania major pyruvate kinase 0.0021 0.0418 0.0246
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0091 0.3233 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0418 0.0264
Trichomonas vaginalis DNA polymerase eta, putative 0.005 0.1554 0.1706
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0174 0.6572 1
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.1554 0.2313
Loa Loa (eye worm) hypothetical protein 0.0018 0.027 0.0114
Trypanosoma brucei DNA polymerase eta, putative 0.0017 0.0263 0.0334
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.1554 0.2047
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.1554 0.2313
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.027 0.0412
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0187 0.708 1
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0174 0.6572 1
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0174 0.6572 1
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0174 0.6572 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0187 0.708 1
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0174 0.6572 1
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.1234 0.1822
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.1069 0.157
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0187 0.708 1
Schistosoma mansoni pyruvate kinase 0.0021 0.0418 0.0636
Schistosoma mansoni hypothetical protein 0.0038 0.1096 0.1667
Plasmodium falciparum pyruvate kinase 0.0021 0.0418 0.0636
Brugia malayi fructose-bisphosphate aldolase 1 0.0174 0.6572 0.6479
Echinococcus multilocularis pyruvate kinase 0.0021 0.0418 0.0636
Schistosoma mansoni DNA polymerase eta 0.0017 0.0263 0.0399
Loa Loa (eye worm) pyruvate kinase 0.0021 0.0418 0.0264
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0174 0.6572 1
Brugia malayi Cytochrome P450 family protein 0.0025 0.0579 0.0325
Mycobacterium ulcerans DNA polymerase IV 0.005 0.1554 0.4037
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.1554 0.2313
Echinococcus multilocularis dna polymerase eta 0.0017 0.0263 0.0399
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0174 0.6572 1
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0174 0.6572 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0187 0.708 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.005 0.1554 0.1706
Loa Loa (eye worm) pyruvate kinase 0.0021 0.0418 0.0264
Loa Loa (eye worm) follicle stimulating hormone receptor 0.026 1 1
Schistosoma mansoni hypothetical protein 0.0018 0.027 0.0412
Trypanosoma brucei fructose-bisphosphate aldolase, glycosomal, putative 0.0174 0.6572 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.005 0.1554 0.2047
Trypanosoma brucei pyruvate kinase 1, putative 0.0021 0.0418 0.0572
Mycobacterium ulcerans DNA polymerase IV 0.005 0.1554 0.4037
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0017 0.0263 0.0106
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0365 0.0491
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0187 0.708 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0017 0.0263 0.0399
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.1554 0.2313
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.027 0.0412
Loa Loa (eye worm) pyruvate kinase 0.0021 0.0418 0.0264
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0174 0.6572 1
Trypanosoma brucei DNA polymerase IV, putative 0.005 0.1554 0.2313
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0187 0.708 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0187 0.708 1
Leishmania major fructose-1,6-bisphosphate aldolase 0.0174 0.6572 1
Loa Loa (eye worm) fructose-bisphosphate aldolase 1 0.0174 0.6572 0.6517
Brugia malayi polk-prov protein 0.0038 0.1069 0.0829
Onchocerca volvulus Pyruvate kinase homolog 0.0021 0.0418 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.1554 0.2313
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.1807 0.1586
Plasmodium vivax fructose 1,6-bisphosphate aldolase, putative 0.0174 0.6572 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0187 0.708 1
Trypanosoma brucei DNA polymerase kappa, putative 0.005 0.1554 0.2313
Echinococcus multilocularis pyruvate kinase 0.0021 0.0418 0.0636
Toxoplasma gondii fructose-bisphosphate aldolase, putative 0.0174 0.6572 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.027 0.0114
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0174 0.6572 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0021 0.0418 0.0523
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0025 0.0583 0.0508
Trypanosoma brucei DNA polymerase IV, putative 0.005 0.1554 0.2313
Plasmodium vivax pyruvate kinase, putative 0.0021 0.0418 0.0636
Trypanosoma brucei unspecified product 0.0042 0.1234 0.1822
Schistosoma mansoni terminal deoxycytidyl transferase 0.0017 0.0263 0.0399
Echinococcus multilocularis dna polymerase kappa 0.005 0.1554 0.2365
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.1807 0.1586

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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