Detailed information for compound 612976

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 360.815 | Formula: C17H13ClN2O3S
  • H donors: 0 H acceptors: 2 LogP: 4.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Cn1c(=NC(=O)c2ccccc2Cl)sc2c1cccc2
  • InChi: 1S/C17H13ClN2O3S/c1-23-15(21)10-20-13-8-4-5-9-14(13)24-17(20)19-16(22)11-6-2-3-7-12(11)18/h2-9H,10H2,1H3/b19-17-
  • InChiKey: KBVZNPCKGWNFEL-ZPHPHTNESA-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
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0074 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.0928 0.5571
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0127 0.3261
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0049 0.4998
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0033 0.0224 0.5621
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.038 0.2069
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0074 0.005
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0074 0.1904
Trypanosoma cruzi DNA polymerase eta, putative 0.0047 0.0388 1
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.0388 0.2246
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0127 0.288
Mycobacterium tuberculosis Probable reductase 0.0106 0.1077 0.8837
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0074 0.1904
Echinococcus granulosus FTZ F1 alpha 0.0417 0.4707 0.4695
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.1077 0.8837
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0205 0.0181
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.1215 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0049 0.0025
Trypanosoma brucei DNA polymerase eta, putative 0.0047 0.0388 1
Echinococcus granulosus GPCR family 2 0.0032 0.0205 0.0181
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0205 0.0181
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0074 0.1904
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0074 1
Schistosoma mansoni hypothetical protein 0.0068 0.0633 0.0611
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0074 0.1904
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0127 0.2812
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0074 0.1904
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0127 0.288
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0049 0.0699
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.1077 0.8837
Brugia malayi hypothetical protein 0.0025 0.0127 0.0635
Leishmania major DNA polymerase eta, putative 0.0033 0.0224 0.5488
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0074 0.005
Loa Loa (eye worm) hypothetical protein 0.01 0.1003 0.5965
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0049 0.0682
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0024 0.0624
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0074 0.1365
Trypanosoma brucei unspecified product 0.002 0.0074 0.1904
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0024 0.0624
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.1003 0.6029
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0074 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0074 0.1904
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0205 0.0181
Schistosoma mansoni hypothetical protein 0.087 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0928 0.0906
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0928 0.0906
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.038 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.1215 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0074 0.1904
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.038 0.9764
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0074 0.1904
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.1003 0.6029
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0049 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0024 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0033 0.0224 0.5488
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0049 0.0209
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0074 0.1904
Schistosoma mansoni hypothetical protein 0.0032 0.0205 0.0181
Echinococcus granulosus dna polymerase eta 0.0047 0.0388 0.0365
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0074 0.0417
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.1077 0.8837
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.1215 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.038 0.2985
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0074 0.005
Echinococcus multilocularis geminin 0.087 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0074 0.1904
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0049 0.1264
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0049 0.0682
Schistosoma mansoni hypothetical protein 0.087 1 1
Echinococcus multilocularis dna polymerase kappa 0.002 0.0074 0.005
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0074 0.031
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.1077 0.8837
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0024 0.0004
Leishmania major trypanothione reductase 0.0047 0.038 0.9764
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0074 0.1904
Schistosoma mansoni hypothetical protein 0.0032 0.0205 0.0181
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0074 0.0417
Loa Loa (eye worm) hypothetical protein 0.0047 0.0388 0.2122
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.0928 0.55
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0074 0.1365
Schistosoma mansoni hypothetical protein 0.0032 0.0205 0.0181
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0127 0.288
Leishmania major DNA polymerase kappa, putative 0.002 0.0074 0.1365
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0049 0.4998
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0928 0.0906
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0074 0.0155
Toxoplasma gondii exonuclease III APE 0.0018 0.0049 0.0699
Brugia malayi glutathione reductase 0.0047 0.038 0.2193
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0049 0.0699
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0127 0.2812
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.038 0.0356
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.038 0.0356
Schistosoma mansoni hypothetical protein 0.0032 0.0205 0.0181
Echinococcus multilocularis dna polymerase eta 0.0047 0.0388 0.0365
Plasmodium falciparum thioredoxin reductase 0.0047 0.038 1
Echinococcus multilocularis GPCR, family 2 0.0032 0.0205 0.0181
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.1215 1
Loa Loa (eye worm) glutathione reductase 0.0047 0.038 0.2069
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0049 0.0157
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0074 0.1365
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0049 0.0025
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0928 0.0906
Loa Loa (eye worm) hypothetical protein 0.0068 0.0633 0.3655
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0205 0.1117
Loa Loa (eye worm) hypothetical protein 0.0032 0.0205 0.0975
Plasmodium falciparum glutathione reductase 0.0047 0.038 1
Brugia malayi hypothetical protein 0.0155 0.1648 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0127 0.288
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0205 0.1117
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0793 0.91 0.9098
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0074 0.1365
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0205 0.0975
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0928 0.0906
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0074 1
Brugia malayi Thioredoxin reductase 0.0047 0.038 0.2193
Loa Loa (eye worm) hypothetical protein 0.0155 0.1648 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0049 1
Leishmania major DNA polymerase eta, putative 0.0047 0.0388 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0928 0.0906
Schistosoma mansoni ap endonuclease 0.0018 0.0049 0.0025
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0205 0.0181
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0928 0.0906
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0024 0.0624
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0633 0.3755
Echinococcus granulosus dna polymerase kappa 0.002 0.0074 0.005
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.1077 0.8837
Loa Loa (eye worm) hypothetical protein 0.0025 0.0127 0.0485
Trypanosoma brucei trypanothione reductase 0.0047 0.038 0.9778
Leishmania major hypothetical protein, conserved 0.0025 0.0127 0.2812
Schistosoma mansoni ap endonuclease 0.0018 0.0049 0.0025
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.1003 0.5965
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0074 0.1365
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0074 0.005
Toxoplasma gondii thioredoxin reductase 0.0047 0.038 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0049 0.4998
Schistosoma mansoni DNA polymerase eta 0.0047 0.0388 0.0365
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0074 0.1904
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0049 0.0682
Plasmodium vivax glutathione reductase, putative 0.0047 0.038 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0074 0.1904
Giardia lamblia DINP protein human, muc B family 0.002 0.0074 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0049 0.4998
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0074 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0024 0.0624
Onchocerca volvulus 0.0155 0.1648 0.5

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.