Detailed information for compound 1019205

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 297.363 | Formula: C15H17F2NOS
  • H donors: 0 H acceptors: 1 LogP: 3.71 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1CCC1N1C(=O)CSC1c1c(F)cccc1F
  • InChi: 1S/C15H17F2NOS/c1-2-9-6-7-12(9)18-13(19)8-20-15(18)14-10(16)4-3-5-11(14)17/h3-5,9,12,15H,2,6-8H2,1H3
  • InChiKey: SJMXGMDKBSWKAU-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
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0192 0.8108 1
Toxoplasma gondii thioredoxin reductase 0.0047 0.1425 0.6002
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0154 0.019
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0178 0.022
Loa Loa (eye worm) RNA binding protein 0.0069 0.2459 0.2898
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.2459 0.3033
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0278 0.0343
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0192 0.8108 1
Giardia lamblia Hypothetical protein 0.0192 0.8108 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0154 0.019
Toxoplasma gondii ABC1 family protein 0.0036 0.0928 0.3908
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0178 0.022
Plasmodium falciparum protease, putative 0.004 0.1073 0.7533
Trypanosoma cruzi metallo- peptidase, Clan M- Family M48 0.0068 0.2374 0.2928
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0154 0.019
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0928 0.1144
Echinococcus multilocularis dna polymerase eta 0.002 0.0178 0.022
Brugia malayi Peptidase family M48 containing protein 0.0068 0.2374 0.2928
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.4218 0.4218
Schistosoma mansoni hypothetical protein 0.0033 0.0783 0.0965
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0928 0.1144
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.4774 0.4774
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0928 0.1144
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.4218 0.4218
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0178 0.022
Echinococcus multilocularis tar DNA binding protein 0.0069 0.2459 0.3033
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0178 0.022
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1457 0.1797
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0178 0.022
Loa Loa (eye worm) hypothetical protein 0.0099 0.3802 0.4587
Brugia malayi beta-lactamase family protein 0.0036 0.0928 0.1144
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0178 0.022
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0178 0.022
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0178 0.022
Mycobacterium ulcerans beta-lactamase 0.0036 0.0928 0.4673
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0928 0.0928
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.1425 0.1757
Loa Loa (eye worm) hypothetical protein 0.0049 0.1495 0.1686
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0928 0.1144
Mycobacterium tuberculosis Conserved protein 0.0036 0.0928 0.0928
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1457 0.1797
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0154 0.0775
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0192 0.8108 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0178 0.022
Loa Loa (eye worm) peptidase family M48 containing protein 0.0068 0.2374 0.2791
Trypanosoma brucei trypanothione reductase 0.0047 0.1425 0.1757
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0928 0.4673
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0178 0.0178
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1457 0.1797
Loa Loa (eye worm) glutathione reductase 0.0047 0.1425 0.1598
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2459 0.3033
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0928 0.1144
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0178 0.022
Leishmania major DNA polymerase kappa, putative 0.002 0.0178 0.022
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0108 0.4218 0.8557
Entamoeba histolytica CAAX prenyl protease, putative 0.0068 0.2374 0.2791
Toxoplasma gondii hypothetical protein 0.004 0.1073 0.4521
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1985 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0928 0.1144
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0928 0.0928
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.1457 0.1638
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0154 1
Schistosoma mansoni DNA polymerase eta 0.002 0.0178 0.022
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0178 0.003
Loa Loa (eye worm) hypothetical protein 0.0036 0.0928 0.0973
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.1457 0.1797
Loa Loa (eye worm) beta-lactamase 0.0036 0.0928 0.0973
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0178 0.022
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0928 0.0928
Plasmodium vivax protease, putative 0.004 0.1073 0.7533
Brugia malayi Trypsin family protein 0.0099 0.3802 0.469
Entamoeba histolytica CAAX amino terminal protease family 0.004 0.1073 0.1156
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.2459 0.2898
Trypanosoma brucei unspecified product 0.002 0.0178 0.022
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0154 0.019
Treponema pallidum hypothetical protein 0.004 0.1073 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1457 0.1797
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0178 0.022
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0783 0.0965
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0178 0.022
Loa Loa (eye worm) hypothetical protein 0.0036 0.0928 0.0973
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.4218 0.4218
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.004 0.1073 0.1073
Echinococcus multilocularis dna polymerase kappa 0.002 0.0178 0.022
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0099 0.3802 0.469
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0154 0.019
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0928 0.1144
Loa Loa (eye worm) hypothetical protein 0.002 0.0178 0.003
Toxoplasma gondii exonuclease III APE 0.002 0.0154 0.0649
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0154 0.1434
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.4218 0.4218
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.4774 0.4774
Echinococcus granulosus dna polymerase kappa 0.002 0.0178 0.022
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0154 0.108
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1495 0.1844
Brugia malayi beta-lactamase 0.0036 0.0928 0.1144
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1985 0.2449
Giardia lamblia DINP protein human, muc B family 0.002 0.0178 0.022
Brugia malayi TAR-binding protein 0.0069 0.2459 0.3033
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0178 0.022
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.1073 0.1073
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0928 0.6512
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1457 0.1797
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.1425 1
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0178 0.022
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0154 0.108
Plasmodium falciparum thioredoxin reductase 0.0047 0.1425 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0178 0.022
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0154 0.019
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.1425 0.1425
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0192 0.8108 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0928 0.0973
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0192 0.8108 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0928 0.0973
Entamoeba histolytica CAAX prenyl protease family 0.0192 0.8108 1
Plasmodium falciparum glutathione reductase 0.0047 0.1425 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0178 0.022
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0928 0.0973
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0928 0.0928
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0178 0.022
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0036 0.0928 0.0973
Trypanosoma brucei CAAX amino terminal protease, putative 0.0192 0.8108 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0178 0.0898
Echinococcus granulosus caax prenyl protease 1 0.0068 0.2374 0.2928
Mycobacterium ulcerans hypothetical protein 0.004 0.1073 0.5406
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0178 0.022
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.1425 0.1757
Echinococcus granulosus dna polymerase eta 0.002 0.0178 0.022
Leishmania major trypanothione reductase 0.0047 0.1425 0.1757
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.4218 0.4218
Schistosoma mansoni ap endonuclease 0.002 0.0154 0.019
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.004 0.1073 0.1073
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1985 0.2449
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0178 0.003
Entamoeba histolytica CAAX amino terminal protease family 0.004 0.1073 0.1156
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0178 0.022
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0154 0.019
Trypanosoma cruzi CAAX prenyl protease 1, putative 0.0068 0.2374 0.2928
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0178 0.022
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.4774 0.4774
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.4774 1
Mycobacterium ulcerans hypothetical protein 0.004 0.1073 0.5406
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0278 0.0343
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1457 0.1797
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0178 0.022
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0068 0.2374 0.2928
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0178 0.0178
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0928 0.4673
Trichomonas vaginalis esterase, putative 0.0036 0.0928 0.1144
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0178 0.0898
Mycobacterium tuberculosis Probable integral membrane protein 0.004 0.1073 0.1073
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0178 0.022
Onchocerca volvulus 0.0099 0.3802 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0928 0.1144
Toxoplasma gondii hypothetical protein 0.004 0.1073 0.4521
Loa Loa (eye worm) hypothetical protein 0.0033 0.0783 0.079
Trypanosoma brucei metallo- peptidase, Clan M- Family M48 0.0068 0.2374 0.2928
Brugia malayi glutathione reductase 0.0047 0.1425 0.1757
Toxoplasma gondii CAAX amino terminal protease family protein 0.004 0.1073 0.4521
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2459 0.3033
Echinococcus multilocularis caax prenyl protease 1 0.0068 0.2374 0.2928
Loa Loa (eye worm) hypothetical protein 0.0036 0.0928 0.0973
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0928 0.1144
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0928 0.0928
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1985 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0178 0.022
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0154 0.019
Mycobacterium tuberculosis Conserved protein 0.0036 0.0928 0.0928
Schistosoma mansoni farnesylated-protein converting enzyme 1 (M48 family) 0.0068 0.2374 0.2928
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0928 0.1144
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.1425 0.1598
Onchocerca volvulus 0.0092 0.3505 0.8966
Mycobacterium ulcerans lipase LipD 0.0036 0.0928 0.4673
Loa Loa (eye worm) hypothetical protein 0.0099 0.3802 0.4587
Loa Loa (eye worm) TAR-binding protein 0.0069 0.2459 0.2898
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0178 0.022
Schistosoma mansoni ap endonuclease 0.002 0.0154 0.019
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.1425 0.1757
Mycobacterium tuberculosis Conserved protein 0.0036 0.0928 0.0928
Mycobacterium ulcerans integral membrane protein 0.004 0.1073 0.5406
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0928 0.0928
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1495 0.1844
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0099 0.3802 0.469
Mycobacterium ulcerans hypothetical protein 0.0036 0.0928 0.4673
Brugia malayi RNA binding protein 0.0069 0.2459 0.3033
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1985 0.2449
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1495 0.1686
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0928 0.1144
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1457 0.1797
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1985 0.2449
Echinococcus granulosus CAAX prenyl protease 2 0.0192 0.8108 1
Mycobacterium tuberculosis Probable reductase 0.0108 0.4218 0.4218
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0178 0.022
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0192 0.8108 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0928 0.0928
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0154 0.019
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0178 0.022
Brugia malayi Thioredoxin reductase 0.0047 0.1425 0.1757
Brugia malayi CAAX amino terminal protease family protein 0.0192 0.8108 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0928 0.1144
Leishmania major DNA polymerase eta, putative 0.002 0.0178 0.022
Toxoplasma gondii CAAX metallo endopeptidase 0.0068 0.2374 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0928 0.1144
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2459 0.3033
Echinococcus granulosus tar DNA binding protein 0.0069 0.2459 0.3033
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0068 0.2374 0.2928
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2459 0.3033
Leishmania major hypothetical protein, conserved 0.0036 0.0928 0.1144
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0178 0.022
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1985 0.8363
Plasmodium vivax glutathione reductase, putative 0.0047 0.1425 1
Leishmania major CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 0.0068 0.2374 0.2928
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1985 0.2449
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1985 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.8108 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0154 0.019
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2459 0.3033
Echinococcus multilocularis CAAX prenyl protease 2 0.0192 0.8108 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.1985 0.1985
Brugia malayi beta-lactamase family protein 0.0036 0.0928 0.1144
Chlamydia trachomatis hypothetical protein 0.004 0.1073 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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