Detailed information for compound 1121320

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 445.469 | Formula: C19H15N3O6S2
  • H donors: 2 H acceptors: 4 LogP: 4.02 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OCC(=O)Nc1ccccc1[N+](=O)[O-])/C=C\1/SC(=S)NC1=O
  • InChi: 1S/C19H15N3O6S2/c1-27-15-8-11(9-16-18(24)21-19(29)30-16)6-7-14(15)28-10-17(23)20-12-4-2-3-5-13(12)22(25)26/h2-9H,10H2,1H3,(H,20,23)(H,21,24,29)/b16-9+
  • InChiKey: NRXVYIWHDHASLD-CXUHLZMHSA-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
Entamoeba histolytica hypothetical protein 0.0023 0.0018 0.0699
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0086 0.1304
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.03 0.3978 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0262 0.3997
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0278 0.3665 1
Schistosoma mansoni microtubule-associated protein tau 0.0722 1 1
Schistosoma mansoni jumonji domain containing protein 0.0142 0.1718 0.1718
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0278 0.3665 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0144 0.0144
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0026 0.0066 0.1001
Brugia malayi jmjC domain containing protein 0.0026 0.0066 0.0325
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0144 0.0361
Entamoeba histolytica deoxycytidyl transferase, putative 0.004 0.0262 1
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0262 0.1297
Loa Loa (eye worm) RNA binding protein 0.0062 0.0582 0.1464
Schistosoma mansoni hypothetical protein 0.03 0.3978 0.3978
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0582 0.0582
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0582 0.2879
Echinococcus multilocularis snurportin 1 0.03 0.3978 0.3978
Brugia malayi TAR-binding protein 0.0062 0.0582 0.2879
Loa Loa (eye worm) hypothetical protein 0.007 0.0693 0.1743
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0067 0.0656 0.165
Leishmania major DNA polymerase kappa, putative 0.004 0.0262 0.3997
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0262 0.3997
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0262 1
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0262 0.0716
Leishmania major hypothetical protein, conserved 0.0026 0.0066 0.1001
Schistosoma mansoni hypothetical protein 0.0032 0.0144 0.0144
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0098 0.1091 0.1091
Brugia malayi jmjC domain containing protein 0.0098 0.1091 0.5395
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0278 0.3665 1
Trypanosoma brucei DNA polymerase eta, putative 0.0067 0.0656 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0026 0.0066 0.0165
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0144 0.5455
Brugia malayi ImpB/MucB/SamB family protein 0.0067 0.0656 0.3246
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0262 0.3997
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0086 0.1304
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0026 0.0066 0.1001
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0026 0.0066 0.0066
Leishmania major importin beta-1 subunit, putative 0.0023 0.0018 0.0279
Echinococcus granulosus snurportin 1 0.03 0.3978 0.3978
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0026 0.0066 0.2492
Echinococcus multilocularis lysine specific demethylase 6a 0.0026 0.0066 0.0066
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0262 0.3997
Giardia lamblia DINP protein human, muc B family 0.004 0.0262 1
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0262 0.3997
Trypanosoma brucei unspecified product 0.004 0.0262 0.3997
Echinococcus multilocularis JmjC domain containing protein 4 0.0026 0.0066 0.0066
Brugia malayi RNA binding protein 0.0062 0.0582 0.2879
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0018 0.0699
Schistosoma mansoni jumonji/arid domain-containing protein 0.0098 0.1091 0.1091
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.004 0.0262 0.0716
Brugia malayi RNA, U transporter 1 0.008 0.0834 0.4126
Echinococcus granulosus jumonji domain containing protein 0.0044 0.032 0.032
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.004 0.0262 0.0262
Loa Loa (eye worm) jmjC domain-containing protein 0.0026 0.0066 0.0165
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0582 0.0582
Schistosoma mansoni jumonji/arid domain-containing protein 0.0098 0.1091 0.1091
Loa Loa (eye worm) jmjC domain-containing protein 0.0098 0.1091 0.2743
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0582 0.0582
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0262 0.3997
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0018 0.0699
Echinococcus multilocularis microtubule associated protein 2 0.0722 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.004 0.0262 0.0659
Leishmania major DNA polymerase eta, putative 0.004 0.0264 0.4016
Echinococcus granulosus dna polymerase eta 0.0067 0.0656 0.0656
Trypanosoma brucei unspecified product 0.0027 0.0086 0.1304
Trypanosoma brucei unspecified product 0.0027 0.0086 0.1304
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0262 0.0716
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0144 0.0392
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0582 0.0582
Loa Loa (eye worm) hypothetical protein 0.0026 0.0066 0.0165
Brugia malayi jmjC domain containing protein 0.0026 0.0066 0.0325
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0262 0.3997
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0262 0.3997
Echinococcus granulosus tar DNA binding protein 0.0062 0.0582 0.0582
Plasmodium falciparum JmjC domain-containing protein, putative 0.0026 0.0066 0.0179
Onchocerca volvulus Alhambra homolog 0.0032 0.0144 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.004 0.0262 0.3997
Loa Loa (eye worm) jmjC domain-containing protein 0.0026 0.0066 0.0165
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0262 0.3997
Leishmania major DNA polymerase eta, putative 0.0067 0.0656 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0094 0.1436
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0094 0.3575
Echinococcus granulosus dna polymerase kappa 0.004 0.0262 0.0262
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0026 0.0066 0.2492
Brugia malayi jmjC domain containing protein 0.0163 0.2022 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0582 0.0582
Brugia malayi PHD-finger family protein 0.0032 0.0144 0.0711
Echinococcus multilocularis dna polymerase kappa 0.004 0.0262 0.0262
Echinococcus granulosus phd:f box containing protein 0.0026 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0028 0.0094 0.0237
Echinococcus granulosus jumonji domain containing 1A 0.0026 0.0066 0.0066
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0026 0.0066 0.0066
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0262 0.3997
Loa Loa (eye worm) hypothetical protein 0.0026 0.0066 0.0165
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0582 0.1464
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0262 0.3997
Giardia lamblia PHD finger protein 15 0.0032 0.0144 0.5482
Echinococcus granulosus JmjC domain containing protein 4 0.0026 0.0066 0.0066
Brugia malayi Importin beta-1 subunit 0.0028 0.0094 0.0466
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0262 0.3997
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0262 0.3997
Schistosoma mansoni phosphatidylserine receptor 0.0026 0.0066 0.0066
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0144 0.5455
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0278 0.3665 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0098 0.1091 0.1091
Echinococcus granulosus peregrin 0.0032 0.0144 0.0144
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.0262 0.0262
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0262 0.3997
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.032 0.032
Schistosoma mansoni phd/f-box containing protein 0.0026 0.0066 0.0066
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0094 0.1436
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0624 0.1568
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0026 0.0066 0.0066
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.004 0.0262 0.0262
Toxoplasma gondii ImpB/MucB/SamB family protein 0.004 0.0264 1
Plasmodium falciparum importin beta, putative 0.0028 0.0094 0.0257
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0582 0.0582
Loa Loa (eye worm) hypothetical protein 0.0032 0.0144 0.0361
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0163 0.2022 0.2022
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0026 0.0066 0.1001
Brugia malayi jmjC domain containing protein 0.0026 0.0066 0.0325
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0018 0.0279
Echinococcus multilocularis phd:f box containing protein 0.0026 0.0066 0.0066
Treponema pallidum hypothetical protein 0.0278 0.3665 1
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0094 0.0094
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0086 0.1304
Schistosoma mansoni jumonji domain containing protein 0.0026 0.0066 0.0066
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0262 0.3997
Schistosoma mansoni DNA polymerase eta 0.0067 0.0656 0.0656
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0262 0.3997
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0262 0.3997
Brugia malayi jmjC domain containing protein 0.0026 0.0066 0.0325
Echinococcus granulosus lysine specific demethylase 6a 0.0026 0.0066 0.0066
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0582 0.1464
Echinococcus granulosus importin subunit beta 1 0.0028 0.0094 0.0094
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0018 0.0699
Plasmodium vivax importin-beta 2, putative 0.0028 0.0094 0.0257
Schistosoma mansoni protein phosphatase 2C 0.0026 0.0066 0.0066
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.0262 0.0716
Plasmodium vivax JmjC domain containing protein 0.0026 0.0066 0.0179
Trypanosoma cruzi DNA polymerase eta, putative 0.004 0.0264 0.4016
Echinococcus multilocularis jumonji domain containing 1A 0.0026 0.0066 0.0066
Brugia malayi Bromodomain containing protein 0.0032 0.0144 0.0711
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0144 0.0144
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0163 0.2022 0.2022
Echinococcus multilocularis dna polymerase eta 0.0067 0.0656 0.0656
Schistosoma mansoni importin beta-1 0.0028 0.0094 0.0094
Trypanosoma cruzi DNA polymerase eta, putative 0.0067 0.0656 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0262 1
Plasmodium falciparum phd finger protein, putative 0.0032 0.0144 0.0392
Echinococcus multilocularis peregrin 0.0032 0.0144 0.0144
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0278 0.3665 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.004 0.0262 0.0262

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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