Detailed information for compound 1115915

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 303.287 | Formula: C14H7F2N3OS
  • H donors: 1 H acceptors: 3 LogP: 3.26 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1sc(c(c1c1ccc(cc1F)F)C#N)NC(=O)C
  • InChi: 1S/C14H7F2N3OS/c1-7(20)19-14-10(5-17)13(12(6-18)21-14)9-3-2-8(15)4-11(9)16/h2-4H,1H3,(H,19,20)
  • InChiKey: FFZFKVDGXWASJT-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
Trypanosoma brucei Aminopeptidase M1, putative 0.0069 0.1453 0.1461
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0069 0.1453 0.1647
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.5123 0.6219
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0049 0.0796 0.0792
Trypanosoma brucei histone deacetylase 3 0.0112 0.2837 0.3065
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0069 0.1453 0.1286
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.3743 0.4243
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0325 0.0166
Echinococcus granulosus histone deacetylase 6 0.0112 0.2837 0.2697
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0264 0.7824 0.9498
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.0796 0.0902
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0855 0.0825
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0069 0.1453 0.1286
Trichomonas vaginalis glucosylceramidase, putative 0.0277 0.8237 1
Echinococcus multilocularis histone deacetylase 8 0.0084 0.1926 0.1768
Trypanosoma cruzi histone deacetylase 1, putative 0.0264 0.7824 0.8868
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0796 0.0966
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0049 0.0796 0.0713
Schistosoma mansoni histone deacetylase 0.0264 0.7824 0.7781
Trypanosoma cruzi histone deacetylase, putative 0.0112 0.2837 0.3216
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0782 0.0603
Entamoeba histolytica aminopeptidase, putative 0.0069 0.1453 0.1857
Brugia malayi Peptidase family M1 containing protein 0.0236 0.6901 0.8339
Mycobacterium ulcerans hypothetical protein 0.0155 0.4259 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0049 0.0796 0.0902
Toxoplasma gondii histone deacetylase HDAC1 0.0112 0.2837 0.3467
Trypanosoma cruzi aminopeptidase, putative 0.0069 0.1453 0.1647
Loa Loa (eye worm) hypothetical protein 0.0035 0.0325 0.0236
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.2984 0.2927
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0069 0.1453 0.1286
Trichomonas vaginalis histone deacetylase, putative 0.0264 0.7824 0.9498
Toxoplasma gondii hypothetical protein 0.0048 0.0735 0.0713
Echinococcus multilocularis histone deacetylase 1 0.0264 0.7824 0.7781
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0782 0.0699
Echinococcus granulosus aminopeptidase N 0.0236 0.6901 0.684
Loa Loa (eye worm) hypothetical protein 0.0167 0.4628 0.459
Echinococcus multilocularis snurportin 1 0.033 0.9975 0.9975
Schistosoma mansoni histone deacetylase 4 5 0.0112 0.2837 0.2697
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0045 0.0654 0.0471
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0784 0.0604
Trypanosoma cruzi histone deacetylase, putative 0.0112 0.2837 0.3216
Trichomonas vaginalis glucosylceramidase, putative 0.0277 0.8237 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0069 0.1453 0.1647
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0782 0.0603
Plasmodium falciparum histone deacetylase 1 0.0264 0.7824 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0069 0.1453 0.1286
Echinococcus granulosus histone deacetylase 0.0112 0.2837 0.2697
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0855 0.0825
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.2984 0.2927
Plasmodium falciparum histone deacetylase 2 0.0112 0.2837 0.3467
Echinococcus granulosus histone deacetylase 3 0.0264 0.7824 0.7781
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0784 0.0604
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.4259 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0069 0.1453 0.1286
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0069 0.1453 0.1286
Giardia lamblia Histone deacetylase 0.0264 0.7824 1
Echinococcus multilocularis histone deacetylase 6 0.0112 0.2837 0.2697
Echinococcus granulosus histone deacetylase 8 0.0084 0.1926 0.1768
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0069 0.1453 0.1286
Loa Loa (eye worm) histone deacetylase 1 0.0264 0.7824 0.7823
Onchocerca volvulus 0.0069 0.1453 0.1095
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0832 0.0944
Schistosoma mansoni histone deacetylase hda2 0.0118 0.3037 0.2901
Onchocerca volvulus 0.0236 0.6901 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0536 0.0399
Leishmania major histone deacetylase, putative 0.0112 0.2837 0.3216
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0796 0.0617
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0782 0.0603
Trypanosoma cruzi histone deacetylase, putative 0.0084 0.1926 0.2183
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.1004 0.0829
Schistosoma mansoni histone deacetylase hda2 0.0084 0.1926 0.1768
Loa Loa (eye worm) histone deacetylase 7A 0.0112 0.2837 0.2778
Trypanosoma brucei Aminopeptidase M1, putative 0.0069 0.1453 0.1461
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.8822 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0049 0.0796 0.0902
Brugia malayi hypothetical protein 0.0069 0.1453 0.1568
Trichomonas vaginalis glucosylceramidase, putative 0.0277 0.8237 1
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0796 0.0966
Echinococcus granulosus histone deacetylase 1 0.0264 0.7824 0.7781
Brugia malayi Histone deacetylase family protein 0.0112 0.2837 0.3289
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0049 0.0796 0.0701
Trypanosoma brucei histone deacetylase 4 0.0112 0.2837 0.3065
Toxoplasma gondii histone deacetylase HDAC4 0.0084 0.1926 0.2273
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 0.8822 1
Plasmodium falciparum histone deacetylase, putative 0.0112 0.2837 0.3467
Echinococcus granulosus histone deacetylase 7 0.0112 0.2837 0.2697
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0782 0.0603
Brugia malayi MH2 domain containing protein 0.0116 0.2984 0.3471
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0049 0.0796 0.0902
Trichomonas vaginalis glucosylceramidase, putative 0.0192 0.5443 0.6607
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0045 0.0654 0.0741
Trichomonas vaginalis histone deacetylase, putative 0.0264 0.7824 0.9498
Trypanosoma brucei histone deacetylase 2 0.0084 0.1926 0.201
Brugia malayi Histone deacetylase family protein 0.0112 0.2837 0.3289
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0069 0.1453 0.1647
Brugia malayi histone deacetylase 3 (HD3) 0.0264 0.7824 0.9487
Plasmodium vivax histone deacetylase 2, putative 0.0112 0.2837 0.3467
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0277 0.8237 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.3743 0.4116
Echinococcus multilocularis aminopeptidase N 0.0236 0.6901 0.684
Loa Loa (eye worm) aminopeptidase N 0.0069 0.1453 0.1377
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.0796 0.0902
Loa Loa (eye worm) hypothetical protein 0.0049 0.0782 0.0699
Echinococcus multilocularis mitogen activated protein kinase 3 0.0049 0.0796 0.0617
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0796 0.0966
Loa Loa (eye worm) hypothetical protein 0.0045 0.0654 0.0569
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0069 0.1453 0.1286
Brugia malayi RNA, U transporter 1 0.0088 0.2056 0.2317
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0049 0.0796 0.0902
Plasmodium vivax histone deacetylase, putative 0.0112 0.2837 0.3467
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0784 0.0737
Trichomonas vaginalis histone deacetylase, putative 0.0264 0.7824 0.9498
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0197 0.5616 0.5531
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.1004 0.0829
Trichomonas vaginalis histone deacetylase, putative 0.0264 0.7824 0.9498
Toxoplasma gondii histone deacetylase HDAC2 0.0264 0.7824 1
Trichomonas vaginalis histone deacetylase, putative 0.0264 0.7824 0.9498
Echinococcus granulosus histone deacetylase 6 0.0112 0.2837 0.2697
Schistosoma mansoni hypothetical protein 0.0331 1 1
Loa Loa (eye worm) histone deacetylase 0.0112 0.2837 0.2778
Echinococcus multilocularis histone deacetylase 3 0.0264 0.7824 0.7781
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0264 0.7824 0.9498
Schistosoma mansoni hypothetical protein 0.033 0.9975 0.9975
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.5123 0.6219
Echinococcus multilocularis histone deacetylase 7 0.0112 0.2837 0.2697
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0796 0.0966
Echinococcus multilocularis histone deacetylase 0.0112 0.2837 0.2697
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.8822 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0084 0.1926 0.1768
Brugia malayi Peptidase family M1 containing protein 0.0069 0.1453 0.1568
Trichomonas vaginalis glucosylceramidase, putative 0.0277 0.8237 1
Brugia malayi mbt repeat family protein 0.0049 0.0782 0.0735
Loa Loa (eye worm) hypothetical protein 0.0045 0.0654 0.0569
Loa Loa (eye worm) peptidase family M1 containing protein 0.0191 0.5427 0.5398
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0784 0.0604
Echinococcus granulosus snurportin 1 0.033 0.9975 0.9975
Echinococcus multilocularis geminin 0.0331 1 1
Schistosoma mansoni hypothetical protein 0.0302 0.9043 0.9024
Onchocerca volvulus Histone deacetylase 10 homolog 0.0084 0.1926 0.1869
Loa Loa (eye worm) MBCTL1 0.0056 0.1004 0.0924
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0045 0.0654 0.0471
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0784 0.0701
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0536 0.0607
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0784 0.0604
Loa Loa (eye worm) hypothetical protein 0.0034 0.0291 0.0202
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0069 0.1453 0.1764
Brugia malayi MAP kinase sur-1 0.0049 0.0796 0.0752
Trypanosoma cruzi histone deacetylase, putative 0.0084 0.1926 0.2183
Toxoplasma gondii histone deacetylase HDAC3 0.0264 0.7824 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0782 0.0603
Loa Loa (eye worm) hypothetical protein 0.0051 0.0855 0.0772
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0855 0.0772
Schistosoma mansoni hypothetical protein 0.0035 0.0325 0.0136
Leishmania major histone deacetylase, putative 0.0264 0.7824 0.8868
Echinococcus granulosus mitogen activated protein kinase 3 0.0049 0.0796 0.0617
Echinococcus granulosus mitogen activated protein kinase 0.0049 0.0796 0.0617
Echinococcus multilocularis histone deacetylase 6 0.0112 0.2837 0.2697
Leishmania major mitochondrial DNA polymerase beta 0.0295 0.8822 1
Plasmodium vivax histone deacetylase 1, putative 0.0264 0.7824 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0782 0.0603
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0069 0.1453 0.1286
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0277 0.8237 0.8241
Brugia malayi mbt repeat family protein 0.0049 0.0782 0.0735
Trichomonas vaginalis glucosylceramidase, putative 0.0277 0.8237 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.1004 0.1011
Trypanosoma brucei histone deacetylase, putative 0.0112 0.2837 0.3065
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0069 0.1453 0.1286
Leishmania major histone deacetylase, putative 0.0264 0.7824 0.8868
Echinococcus granulosus histone deacetylase 6 0.0118 0.3037 0.2901
Schistosoma mansoni hypothetical protein 0.0331 1 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.1004 0.0829
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0197 0.5616 0.5531
Brugia malayi Histone deacetylase 1 0.0264 0.7824 0.9487
Trypanosoma cruzi Aminopeptidase M1, putative 0.0069 0.1453 0.1647
Trypanosoma cruzi histone deacetylase 1, putative 0.0264 0.7824 0.8868
Loa Loa (eye worm) histone deacetylase 3 0.0264 0.7824 0.7823
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0536 0.0607
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.5123 0.6219
Entamoeba histolytica histone deacetylase, putative 0.0264 0.7824 1
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.5123 0.6219
Loa Loa (eye worm) hypothetical protein 0.0056 0.1004 0.0924
Loa Loa (eye worm) hypothetical protein 0.0031 0.0191 0.0101
Trichomonas vaginalis glucosylceramidase, putative 0.0277 0.8237 1
Trichomonas vaginalis histone deacetylase, putative 0.0264 0.7824 0.9498
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0784 0.0604
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.5123 0.6219
Brugia malayi histone deacetylase 1 (HD1) 0.0264 0.7824 0.9487
Trypanosoma brucei histone deacetylase 1 0.0264 0.7824 0.8843
Onchocerca volvulus Glucosylceramidase homolog 0.0182 0.5123 0.7094
Brugia malayi histone deacetylase 11 0.0084 0.1926 0.2156
Loa Loa (eye worm) hypothetical protein 0.0212 0.6102 0.6081
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0536 0.0607
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.5123 0.6219
Trichomonas vaginalis glucosylceramidase, putative 0.0192 0.5443 0.6607
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.033 0.9975 1
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0069 0.1453 0.1461
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0069 0.1453 0.1286
Echinococcus multilocularis mitogen activated protein kinase 0.0049 0.0796 0.0617
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0069 0.1453 0.1286
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.1004 0.0829
Loa Loa (eye worm) hypothetical protein 0.0084 0.1926 0.1856
Trypanosoma cruzi histone deacetylase, putative 0.0112 0.2837 0.3216
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0264 0.7824 0.9498
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.1004 0.0829
Loa Loa (eye worm) histone deacetylase 11 0.0084 0.1926 0.1856
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.5123 0.6219
Echinococcus multilocularis histone deacetylase 6 0.0118 0.3037 0.2901
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0069 0.1453 0.1764
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0784 0.0604
Loa Loa (eye worm) hypothetical protein 0.0264 0.7824 0.7823
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0784 0.0604
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0782 0.0603
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.3743 0.4243
Schistosoma mansoni histone deacetylase 4 5 0.0112 0.2837 0.2697
Plasmodium vivax histone deacetylase, putative 0.0084 0.1926 0.2273
Leishmania major histone deacetylase, putative 0.0112 0.2837 0.3216
Toxoplasma gondii histone deacetylase HDAC5 0.0084 0.1926 0.2273
Trypanosoma brucei protein kinase, putative 0.0049 0.0796 0.0701
Schistosoma mansoni histone deacetylase 0.0264 0.7824 0.7781

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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