Detailed information for compound 1800710

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 370.449 | Formula: C17H14N4O2S2
  • H donors: 1 H acceptors: 4 LogP: 3.43 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1nc2n(c1c1ccccc1)nc(s2)S(=O)(=O)N
  • InChi: 1S/C17H14N4O2S2/c1-11-7-9-12(10-8-11)14-15(13-5-3-2-4-6-13)21-16(19-14)24-17(20-21)25(18,22)23/h2-10H,1H3,(H2,18,22,23)
  • InChiKey: ICKVQLBWQLTEEW-UHFFFAOYSA-N  

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
Loa Loa (eye worm) hypothetical protein 0.0043 0.0608 0.0627
Brugia malayi chromobox protein homolog 3 0.0043 0.0608 0.038
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.1385 0.1203
Loa Loa (eye worm) hypothetical protein 0.0183 0.9691 1
Loa Loa (eye worm) heterochromatin protein 1 0.0077 0.2813 0.2903
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0821 0.0848
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0821 0.0969
Brugia malayi jmjC domain containing protein 0.0106 0.4672 0.4685
Trichomonas vaginalis chromobox protein, putative 0.0077 0.2813 1
Echinococcus multilocularis chromobox protein 1 0.0077 0.2813 0.2563
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0336 0.0089
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0821 0.0969
Echinococcus multilocularis chromobox protein 1 0.0077 0.2813 0.2563
Schistosoma mansoni hypothetical protein 0.0188 1 1
Loa Loa (eye worm) hypothetical protein 0.0183 0.9691 1
Onchocerca volvulus Phospholipase A2 homolog 0.0183 0.9691 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0336 0.0089
Schistosoma mansoni chromobox protein 0.0077 0.2813 0.2629
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0336 0.0347
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.1385 0.143
Brugia malayi Phospholipase A2 family protein 0.0183 0.9691 1
Trichomonas vaginalis chromobox protein, putative 0.0077 0.2813 1
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.0717 0.0394
Echinococcus granulosus chromobox protein 1 0.0077 0.2813 0.2563
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.1385 0.1203
Schistosoma mansoni chromobox protein 0.0077 0.2813 0.2629
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0608 0.0627
Echinococcus granulosus chromobox protein 1 0.0077 0.2813 0.2563
Loa Loa (eye worm) hypothetical protein 0.0038 0.0249 0.0257
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0106 0.4672 0.4487
Brugia malayi jmjC domain containing protein 0.0039 0.0336 0.0092
Onchocerca volvulus Phospholipase A2 homolog 0.0183 0.9691 1
Echinococcus granulosus jumonji domain containing protein 0.0045 0.0717 0.0394
Loa Loa (eye worm) hypothetical protein 0.0055 0.1385 0.143
Loa Loa (eye worm) hypothetical protein 0.0055 0.1395 0.1439
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.2131 0.2199
Schistosoma mansoni hypothetical protein 0.0188 1 1
Echinococcus multilocularis geminin 0.0188 1 1
Schistosoma mansoni jumonji domain containing protein 0.0084 0.3259 0.3086
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0106 0.4672 0.4487
Brugia malayi Heterochromatin protein 1 0.0077 0.2813 0.2715

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 10 ug ml-1 Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 after 5 days by Alamar blue assay ChEMBL. No reference

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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