Detailed information for compound 691046

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 411.865 | Formula: C19H14ClN5O2S
  • H donors: 2 H acceptors: 5 LogP: 4.54 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)Cl)CSc1nnc2n1c(cc(n2)O)c1ccccc1
  • InChi: 1S/C19H14ClN5O2S/c20-13-6-8-14(9-7-13)21-17(27)11-28-19-24-23-18-22-16(26)10-15(25(18)19)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,27)(H,22,23,26)
  • InChiKey: WBDGCPBMXAXBFP-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 GA binding protein alpha chain 0.0073 0.1328 0.1317
Brugia malayi Fli-1 protein 0.0221 0.466 0.4635
Loa Loa (eye worm) hypothetical protein 0.0458 1 1
Echinococcus multilocularis lamin 0.003 0.0356 0.0344
Brugia malayi RNA binding protein 0.014 0.2852 0.2818
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0138 0.0126
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0091 0.1741 0.1702
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0026 0.0268 0.1242
Plasmodium vivax importin-beta 2, putative 0.0029 0.0343 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.022 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0026 0.0268 0.1401
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0343 0.0331
Schistosoma mansoni lamin 0.003 0.0356 0.0335
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.1064 1
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0155 0.2061
Leishmania major phosphopantetheinyl transferase-like protein 0.0026 0.0268 0.1401
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.022 0.1382
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0155 0.0181
Schistosoma mansoni lamin 0.003 0.0356 0.0335
Onchocerca volvulus 0.0091 0.1741 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0138 0.0138
Schistosoma mansoni intermediate filament proteins 0.003 0.0356 0.0335
Schistosoma mansoni tar DNA-binding protein 0.014 0.2852 0.4169
Echinococcus multilocularis snurportin 1 0.0309 0.6649 0.6645
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0343 0.3471
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0356 0.0356
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0155 0.0285
Leishmania major DNA polymerase eta, putative 0.0032 0.042 0.3044
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1064 1
Echinococcus granulosus snurportin 1 0.0309 0.6649 0.6645
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0026 0.0268 0.1401
Echinococcus granulosus L aminoadipate semialdehyde 0.0091 0.1741 0.1731
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0138 0.0091
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0026 0.0268 0.1401
Schistosoma mansoni tar DNA-binding protein 0.014 0.2852 0.4169
Loa Loa (eye worm) hypothetical protein 0.0014 0.0012 0.0012
Schistosoma mansoni DNA polymerase eta 0.0046 0.0728 0.0906
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0155 0.0285
Echinococcus granulosus dna polymerase eta 0.0046 0.0728 0.0717
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0343 0.3471
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0343 0.2069
Schistosoma mansoni gabp alpha 0.0073 0.1328 0.1828
Echinococcus multilocularis dna polymerase eta 0.0046 0.0728 0.0717
Loa Loa (eye worm) hypothetical protein 0.003 0.0356 0.0356
Echinococcus multilocularis musashi 0.003 0.0356 0.0344
Echinococcus granulosus importin subunit beta 1 0.0029 0.0343 0.0331
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.06 0.0588
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0155 0.0181
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0155 0.2061
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0268 0.6004
Leishmania major DNA polymerase eta, putative 0.0046 0.0728 0.6375
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0026 0.0268 1
Brugia malayi intermediate filament protein 0.003 0.0356 0.031
Brugia malayi hypothetical protein 0.004 0.06 0.0555
Echinococcus multilocularis geminin 0.0164 0.3377 0.3369
Echinococcus granulosus intermediate filament protein 0.003 0.0356 0.0344
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0155 0.0364
Brugia malayi Ets-domain containing protein 0.0073 0.1328 0.1287
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.042 0.2916
Loa Loa (eye worm) TAR-binding protein 0.014 0.2852 0.2852
Brugia malayi RNA, U transporter 1 0.0082 0.1545 0.1504
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.022 1
Schistosoma mansoni ap endonuclease 0.0021 0.0155 0.0026
Loa Loa (eye worm) hypothetical protein 0.0091 0.1741 0.1741
Echinococcus granulosus muscleblind protein 0.0458 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0046 0.0728 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.1064 0.1053
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0155 0.0155
Leishmania major importin beta-1 subunit, putative 0.0023 0.022 0.0881
Loa Loa (eye worm) hypothetical protein 0.0029 0.0343 0.0343
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0026 0.0268 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1064 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.1064 0.1053
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.014 0.2852 0.2852
Echinococcus granulosus GA binding protein alpha chain 0.0073 0.1328 0.1317
Echinococcus multilocularis muscleblind protein 0.0458 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.06 0.0588
Echinococcus granulosus tar DNA binding protein 0.014 0.2852 0.2844
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0155 0.0181
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0091 0.1741 0.2463
Mycobacterium leprae conserved hypothetical protein 0.0026 0.0268 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0356 0.031
Schistosoma mansoni ets-related 0.0221 0.466 0.6946
Trypanosoma cruzi DNA polymerase eta, putative 0.0046 0.0728 1
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0026 0.0268 1
Echinococcus multilocularis tar DNA binding protein 0.014 0.2852 0.2844
Loa Loa (eye worm) hypothetical protein 0.0062 0.1091 0.1091
Loa Loa (eye worm) hypothetical protein 0.0046 0.0728 0.0728
Entamoeba histolytica hypothetical protein 0.004 0.06 1
Schistosoma mansoni hypothetical protein 0.004 0.06 0.0709
Plasmodium falciparum importin beta, putative 0.0029 0.0343 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0138 0.0126
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0155 0.0285
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.1064 1
Entamoeba histolytica hypothetical protein 0.004 0.06 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0155 1
Loa Loa (eye worm) fli-1 protein 0.0221 0.466 0.466
Schistosoma mansoni tar DNA-binding protein 0.014 0.2852 0.4169
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0155 0.0143
Brugia malayi TAR-binding protein 0.014 0.2852 0.2818
Echinococcus multilocularis muscleblind protein 1 0.0458 1 1
Loa Loa (eye worm) RNA binding protein 0.014 0.2852 0.2852
Entamoeba histolytica hypothetical protein 0.0023 0.022 0.1767
Trichomonas vaginalis importin beta-1, putative 0.0023 0.022 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0026 0.0268 0.1242
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.1064 0.1421
Brugia malayi Ets-domain containing protein 0.0073 0.1328 0.1287
Loa Loa (eye worm) hypothetical protein 0.0029 0.0344 0.0344
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.1064 1
Echinococcus granulosus geminin 0.0164 0.3377 0.3369
Echinococcus granulosus lamin 0.003 0.0356 0.0344
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0268 0.2198
Echinococcus multilocularis lamin dm0 0.003 0.0356 0.0344
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0155 0.0143
Loa Loa (eye worm) intermediate filament protein 0.003 0.0356 0.0356
Schistosoma mansoni tar DNA-binding protein 0.014 0.2852 0.4169
Brugia malayi RNA recognition motif domain containing protein 0.014 0.2852 0.2818
Brugia malayi Importin beta-1 subunit 0.0029 0.0343 0.0297
Echinococcus multilocularis dna polymerase kappa 0.002 0.0138 0.0126
Schistosoma mansoni hypothetical protein 0.0164 0.3377 0.4975
Schistosoma mansoni transcription factor LCR-F1 0.004 0.06 0.0709
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0309 0.6649 0.6649
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.042 0.4775
Schistosoma mansoni tar DNA-binding protein 0.014 0.2852 0.4169
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0047 0.0047
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0073 0.1328 0.1328
Brugia malayi ImpB/MucB/SamB family protein 0.0046 0.0728 0.0684
Schistosoma mansoni hypothetical protein 0.0309 0.6649 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0268 0.6004
Schistosoma mansoni ap endonuclease 0.0021 0.0155 0.0026
Loa Loa (eye worm) hypothetical protein 0.0458 1 1
Entamoeba histolytica hypothetical protein 0.004 0.06 1
Echinococcus granulosus lamin dm0 0.003 0.0356 0.0344
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0155 0.0108
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.1064 0.1421
Entamoeba histolytica hypothetical protein 0.0026 0.0268 0.2811
Schistosoma mansoni hypothetical protein 0.0164 0.3377 0.4975
Echinococcus multilocularis L aminoadipate semialdehyde 0.0091 0.1741 0.1731
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.1064 1
Echinococcus granulosus dna polymerase kappa 0.002 0.0138 0.0126
Schistosoma mansoni importin beta-1 0.0029 0.0343 0.0315
Entamoeba histolytica hypothetical protein 0.004 0.06 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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