Detailed information for compound 801147

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 440.495 | Formula: C20H16N4O4S2
  • H donors: 0 H acceptors: 2 LogP: 3.77 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCSc1nsc2=NC(=O)C(=Cc3ccc(o3)c3ccc(cc3)C(=O)OC)C(=N)n12
  • InChi: 1S/C20H16N4O4S2/c1-3-29-20-23-30-19-22-17(25)14(16(21)24(19)20)10-13-8-9-15(28-13)11-4-6-12(7-5-11)18(26)27-2/h4-10,21H,3H2,1-2H3/b14-10-,21-16?
  • InChiKey: ZPPKESRGSKXKCN-OIQQPNLJSA-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 granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0298 0.0644
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.1043 0.8342
Loa Loa (eye worm) hypothetical protein 0.0048 0.0267 0.0106
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0617 0.102
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0159 0.1752 0.1616
Brugia malayi glutathione reductase 0.0046 0.0247 0.0247
Leishmania major trypanothione reductase 0.0046 0.0247 0.0086
Plasmodium vivax glutathione reductase, putative 0.0046 0.0247 1
Leishmania major 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.029 0.3501 0.3394
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0166 0.0016
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0617 0.102
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.1201 1
Echinococcus multilocularis GPCR, family 2 0.005 0.0298 0.0644
Plasmodium falciparum thioredoxin reductase 0.0046 0.0247 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0159 0.1752 0.1752
Brugia malayi glutaminase DH11.1 0.0284 0.3418 0.3418
Loa Loa (eye worm) hypothetical protein 0.0168 0.1871 0.1737
Onchocerca volvulus 0.029 0.3501 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0298 0.0644
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.0523 0.1706
Echinococcus multilocularis tar DNA binding protein 0.0074 0.0617 0.2149
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0617 0.102
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0166 0.0016
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.1043 0.8342
Trypanosoma cruzi Emopamil binding protein, putative 0.029 0.3501 0.3394
Toxoplasma gondii thioredoxin reductase 0.0046 0.0247 1
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0617 0.102
Loa Loa (eye worm) hypothetical protein 0.0776 1 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.1079 0.0932
Schistosoma mansoni hypothetical protein 0.0109 0.1079 0.2502
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0298 0.0298
Brugia malayi RNA binding protein 0.0074 0.0617 0.0617
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0247 0.04
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.1043 0.8342
Echinococcus multilocularis muscleblind protein 1 0.0168 0.1871 0.8081
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0247 0.04
Echinococcus granulosus geminin 0.0198 0.2277 1
Echinococcus multilocularis geminin 0.0198 0.2277 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0298 0.0138
Schistosoma mansoni hypothetical protein 0.0198 0.2277 0.6341
Brugia malayi Bromodomain containing protein 0.0084 0.0753 0.0753
Brugia malayi Latrophilin receptor protein 2 0.005 0.0298 0.0298
Trypanosoma brucei Emopamil binding protein, putative 0.029 0.3501 0.3394
Mycobacterium tuberculosis Probable reductase 0.0106 0.1043 0.8342
Schistosoma mansoni glutaminase 0.0284 0.3418 1
Leishmania major hypothetical protein, conserved 0.029 0.3501 0.3394
Echinococcus multilocularis muscleblind protein 0.0168 0.1871 0.8081
Plasmodium falciparum glutathione reductase 0.0046 0.0247 1
Trichomonas vaginalis glutaminase, putative 0.0284 0.3418 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0202 0.0041
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0298 0.0138
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0247 1
Schistosoma mansoni hypothetical protein 0.0198 0.2277 0.6341
Brugia malayi latrophilin 2 splice variant baaae 0.0109 0.1079 0.1079
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.0617 0.0462
Trypanosoma brucei trypanothione reductase 0.0046 0.0247 0.0086
Loa Loa (eye worm) hypothetical protein 0.0159 0.1752 0.1616
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0247 0.0086
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0298 0.0644
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.0617 0.0617
Loa Loa (eye worm) hypothetical protein 0.008 0.0689 0.0535
Echinococcus granulosus tar DNA binding protein 0.0074 0.0617 0.2149
Loa Loa (eye worm) glutaminase 0.0284 0.3418 0.331
Brugia malayi Muscleblind-like protein 0.0168 0.1871 0.1871
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.029 0.3501 0.3394
Brugia malayi Augmenter of liver regeneration 0.004 0.0162 0.0162
Loa Loa (eye worm) RNA binding protein 0.0074 0.0617 0.0462
Loa Loa (eye worm) TAR-binding protein 0.0074 0.0617 0.0462
Loa Loa (eye worm) glutaminase 2 0.0284 0.3418 0.331
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.029 0.3501 0.3394
Mycobacterium ulcerans glutaminase 0.0284 0.3418 0.5
Loa Loa (eye worm) hypothetical protein 0.0168 0.1871 0.1737
Trypanosoma cruzi Emopamil binding protein, putative 0.029 0.3501 0.3394
Brugia malayi TAR-binding protein 0.0074 0.0617 0.0617
Leishmania major C-8 sterol isomerase-like protein 0.0776 1 1
Schistosoma mansoni bromodomain containing protein 0.0071 0.0577 0.0892
Trypanosoma brucei C-8 sterol isomerase, putative 0.0776 1 1
Echinococcus granulosus GPCR family 2 0.005 0.0298 0.0644
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0298 0.0644
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0617 0.102
Brugia malayi Calcitonin receptor-like protein seb-1 0.0159 0.1752 0.1752
Loa Loa (eye worm) glutathione reductase 0.0046 0.0247 0.0086
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0776 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.1201 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0238 0.0077
Echinococcus granulosus muscleblind protein 0.0168 0.1871 0.8081
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.1043 0.8342
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0247 0.0086
Loa Loa (eye worm) hypothetical protein 0.0397 0.4928 0.4844
Brugia malayi Bromodomain containing protein 0.0043 0.0201 0.0201
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.1201 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.1043 0.8342
Brugia malayi Thioredoxin reductase 0.0046 0.0247 0.0247
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.0523 0.1706
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.1201 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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