Detailed information for compound 844985

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 386.486 | Formula: C20H23FN4OS
  • H donors: 1 H acceptors: 3 LogP: 4.3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(NC(=O)C1CCCN(C1)c1ncnc2c1sc1c2c(F)ccc1)C
  • InChi: 1S/C20H23FN4OS/c1-3-12(2)24-20(26)13-6-5-9-25(10-13)19-18-17(22-11-23-19)16-14(21)7-4-8-15(16)27-18/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H,24,26)
  • InChiKey: MGYYJPLMAILMGS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 granulosus dna polymerase eta 0.0019 0.01 0.0182
Echinococcus granulosus dna polymerase kappa 0.0019 0.01 0.0182
Plasmodium falciparum kinesin-5 0.0028 0.0185 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0259 0.0814
Echinococcus multilocularis dna polymerase eta 0.0019 0.01 0.0182
Brugia malayi Kinesin motor domain containing protein 0.0028 0.0185 0.034
Schistosoma mansoni gabp alpha 0.0073 0.0603 0.0587
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0011 0.0016 0.0028
Trypanosoma brucei glucosidase, putative 0.0036 0.0259 0.0217
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0028
Leishmania major DNA polymerase eta, putative 0.0019 0.01 0.0103
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0189 0.0346
Brugia malayi CHE-14 protein 0.0241 0.2186 0.4027
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.01 0.0103
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.01 0.0182
Echinococcus multilocularis Niemann Pick C1 protein 0.0241 0.2186 0.4026
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0259 0.0814
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.146 0.2688
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0144 0.1269 0.5
Echinococcus granulosus ETS transcription factor Elf 5 0.0011 0.0016 0.0028
Plasmodium vivax kinesin-5 0.0028 0.0185 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0259 0.0478
Schistosoma mansoni cpg binding protein 0.0029 0.0189 0.0173
Echinococcus granulosus GA binding protein alpha chain 0.0073 0.0603 0.1109
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0241 0.2186 0.4026
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0259 0.0814
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0259 0.3013
Brugia malayi CXXC zinc finger family protein 0.0029 0.0189 0.0348
Loa Loa (eye worm) hypothetical protein 0.0062 0.0503 0.0925
Schistosoma mansoni ets-related 0.0221 0.1999 0.1986
Loa Loa (eye worm) fli-1 protein 0.0221 0.1999 0.3682
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0585 0.5427 1
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0585 0.5427 0.5408
Schistosoma mansoni alpha glucosidase 0.0036 0.0259 0.0243
Brugia malayi Glycosyl hydrolases family 31 protein 0.0164 0.146 0.269
Loa Loa (eye worm) hypothetical protein 0.0585 0.5427 1
Echinococcus granulosus cpg binding protein 0.0031 0.0204 0.0375
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0275 0.2502 0.9309
Echinococcus granulosus ETS transcription factor Elf 1 0.0011 0.0016 0.0028
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.01 0.0057
Echinococcus multilocularis ETS transcription factor Elf 5 0.0011 0.0016 0.0028
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0057
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0294 0.2685 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.2685 1
Brugia malayi Ets-domain containing protein 0.0011 0.0016 0.003
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0057
Brugia malayi Fli-1 protein 0.0221 0.1999 0.3683
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0164 0.146 0.2688
Echinococcus multilocularis ETS transcription factor Elf 1 0.0011 0.0016 0.0028
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.01 0.0209
Echinococcus granulosus dnaJ subfamily B 0.0411 0.379 0.6983
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0016 0.0028
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0259 0.0399
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0057
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0294 0.2685 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.01 0.0182
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0585 0.5427 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0259 0.0814
Onchocerca volvulus 0.0095 0.0809 1
Echinococcus multilocularis protein dispatched 1 0.0241 0.2186 0.4026
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0259 0.0814
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0585 0.5427 1
Treponema pallidum fructose-bisphosphate aldolase 0.0294 0.2685 0.5
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0144 0.1269 0.2195
Echinococcus granulosus protein C ets 2 0.0011 0.0016 0.0028
Schistosoma mansoni hypothetical protein 0.019 0.171 0.1697
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0259 0.0399
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.0028
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0585 0.5427 1
Schistosoma mansoni alpha-glucosidase 0.0141 0.1245 0.1231
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.2685 1
Schistosoma mansoni kinesin eg-5 0.0028 0.0185 0.0169
Schistosoma mansoni DNA polymerase eta 0.0019 0.01 0.0083
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0073 0.0603 0.1109
Brugia malayi Glycosyl hydrolases family 31 protein 0.0014 0.0044 0.0082
Echinococcus granulosus kinesin family 1 0.0219 0.1978 0.3644
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.01 0.0057
Schistosoma mansoni cpg binding protein 0.0031 0.0204 0.0188
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0259 0.0814
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.2685 1
Brugia malayi DNA-binding protein D-ETS-3 0.0011 0.0016 0.003
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.2685 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.01 0.0103
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0057
Echinococcus multilocularis sterol regulatory element binding protein 0.0241 0.2186 0.4026
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.01 0.0184
Echinococcus granulosus ewsr:fli fusion protein type 0.0011 0.0016 0.0028
Echinococcus granulosus sterol regulatory element binding protein 0.0241 0.2186 0.4026
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.01 0.0083
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.01 0.0103
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.01 0.0182
Echinococcus multilocularis kinesin family 1 0.0219 0.1978 0.3644
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0057
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.01 0.0182
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.2685 1
Trichomonas vaginalis conserved hypothetical protein 0.0241 0.2186 0.811
Trypanosoma brucei RNA helicase, putative 0.1071 1 1
Echinococcus multilocularis dna polymerase kappa 0.0019 0.01 0.0182
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.01 0.0057
Loa Loa (eye worm) kinesin-like protein KLP2 0.0028 0.0185 0.0338
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0275 0.2502 0.9309
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0259 0.0399
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0259 0.0814
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0241 0.2186 0.2173
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0057
Trypanosoma brucei glycosyl hydrolase-like protein 0.0014 0.0044 0.0001
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0057
Echinococcus multilocularis ewsr:fli fusion protein type 0.0011 0.0016 0.0028
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.01 0.0103
Echinococcus multilocularis GA binding protein alpha chain 0.0073 0.0603 0.1109
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0259 0.0814
Brugia malayi Ets-domain containing protein 0.0073 0.0603 0.111
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.01 0.0209
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.01 0.0083
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.01 0.0184
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0259 0.0814
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0057
Echinococcus granulosus Niemann Pick C1 protein 0.0241 0.2186 0.4026
Schistosoma mansoni hypothetical protein 0.0411 0.379 0.378
Echinococcus multilocularis ets variant gene 4 0.0011 0.0016 0.0028
Loa Loa (eye worm) hypothetical protein 0.0241 0.2186 0.4026
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.2685 1
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0585 0.5427 1
Echinococcus granulosus Protein patched homolog 1 0.0241 0.2186 0.4026
Leishmania major DNA polymerase kappa, putative 0.0019 0.01 0.0103
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0275 0.2502 0.9294
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0057
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.01 0.0057
Loa Loa (eye worm) hypothetical protein 0.0014 0.0044 0.008
Trypanosoma brucei unspecified product 0.0019 0.01 0.0057
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.0057
Schistosoma mansoni alpha-glucosidase 0.0141 0.1245 0.1231
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0259 0.0814
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0259 0.0476
Brugia malayi Ets-domain containing protein 0.0073 0.0603 0.111
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0011 0.0016 0.0028
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0011 0.0016 0.0028
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.2685 1
Echinococcus multilocularis protein patched 0.0241 0.2186 0.4026
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0016 0.0028
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0494 0.0478
Echinococcus granulosus ETS domain containing protein Elk 1 0.0011 0.0016 0.0028
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.01 0.0209
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0585 0.5427 0.542
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0432 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0144 0.1269 1
Entamoeba histolytica kinesin, putative 0.0028 0.0185 0.0531
Echinococcus multilocularis cpg binding protein 0.0031 0.0204 0.0375
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0259 0.0476
Loa Loa (eye worm) D-ets-2 protein 0.0011 0.0016 0.0028
Giardia lamblia Kinesin-5 0.0028 0.0185 0.0329
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0585 0.5427 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0275 0.2502 0.9309
Echinococcus multilocularis protein C ets 2 0.0011 0.0016 0.0028
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.2685 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0294 0.2685 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.01 0.0103
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0585 0.5427 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0259 0.0814
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0259 0.0476
Echinococcus granulosus lysosomal alpha glucosidase 0.0164 0.146 0.2688
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.146 0.2688
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0016 0.0028
Echinococcus multilocularis dnaJ subfamily B 0.0411 0.379 0.6983
Brugia malayi transcription factor E74 isoform 0.0011 0.0016 0.003
Schistosoma mansoni cpg binding protein 0.0031 0.0204 0.0188
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.01 0.0103
Onchocerca volvulus 0.0029 0.0189 0.1889
Schistosoma mansoni patched 1 0.0241 0.2186 0.2173
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0016 0.0028
Loa Loa (eye worm) ets-domain-containing protein 0.0011 0.0016 0.0028

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.