Detailed information for compound 1785231

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 375.425 | Formula: C15H13N5O3S2
  • H donors: 2 H acceptors: 1 LogP: 1.54 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c([nH]c(=S)n2c1n[nH]c2=S)c1cc(OC)c(c(c1)OC)OC
  • InChi: 1S/C15H13N5O3S2/c1-21-9-4-7(5-10(22-2)12(9)23-3)11-8(6-16)13-18-19-15(25)20(13)14(24)17-11/h4-5H,1-3H3,(H,17,24)(H,19,25)
  • InChiKey: AESCWEQMMVJEIN-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
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.007 0.0066
Toxoplasma gondii subtilisin SUB8 0.0025 0.0004 0.008
Echinococcus granulosus caspase 2 0.0062 0.0489 0.1369
Onchocerca volvulus 0.0193 0.2166 0.7901
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.2369 0.2369
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.007 0.0066
Loa Loa (eye worm) hypothetical protein 0.0062 0.0489 0.0489
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0193 0.2166 0.6102
Plasmodium vivax subtilisin-like protease 1 0.0025 0.0004 0.0515
Echinococcus granulosus apoptotic protease activating factor 1 0.0062 0.0489 0.1369
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0801 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0004 0.0004
Echinococcus granulosus Dipeptidyl peptidase 9 0.006 0.0453 0.1267
Echinococcus multilocularis inhibitor of apoptosis protein 0.0193 0.2166 0.6102
Loa Loa (eye worm) prolyl oligopeptidase 0.0177 0.1968 0.1968
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0025 0.0004 0.008
Onchocerca volvulus Cell death protein 3 homolog 0.0062 0.0489 0.1773
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0193 0.2166 0.2163
Echinococcus multilocularis apoptotic protease activating factor 1 0.0062 0.0489 0.1369
Leishmania major subtilisin-like serine peptidase 0.0025 0.0004 0.008
Brugia malayi prolyl oligopeptidase family protein 0.006 0.0453 0.0453
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.007 0.0188
Trichomonas vaginalis set domain proteins, putative 0.0237 0.274 1
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0025 0.0004 0.5
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0025 0.0004 0.5
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0193 0.2166 0.2166
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.007 0.0188
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.006 0.0453 1
Trypanosoma brucei subtilisin peptidase 0.0025 0.0004 0.008
Schistosoma mansoni hypothetical protein 0.0062 0.0489 0.0485
Onchocerca volvulus 0.003 0.007 0.0243
Brugia malayi hypothetical protein 0.0046 0.0272 0.0272
Schistosoma mansoni gabp alpha 0.007 0.059 0.0587
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.007 0.1547
Brugia malayi proprotein convertase 2 0.0025 0.0004 0.0004
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0025 0.0004 0.008
Toxoplasma gondii subtilisin SUB6 0.0025 0.0004 0.008
Loa Loa (eye worm) hypothetical protein 0.0193 0.2166 0.2166
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0025 0.0004 0.0004
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0177 0.1968 0.1965
Plasmodium falciparum subtilisin-like protease 1 0.0025 0.0004 1
Mycobacterium leprae Possible secreted protease 0.0025 0.0004 0.5
Loa Loa (eye worm) hypothetical protein 0.0193 0.2166 0.2166
Toxoplasma gondii subtilisin SUB4 0.0025 0.0004 0.008
Brugia malayi celfurPC protein 0.0025 0.0004 0.0004
Echinococcus granulosus GA binding protein alpha chain 0.007 0.059 0.1655
Loa Loa (eye worm) hypothetical protein 0.0046 0.0272 0.0272
Loa Loa (eye worm) endoprotease bli-4 0.0025 0.0004 0.0004
Toxoplasma gondii subtilisin SUB5 0.0025 0.0004 0.008
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0025 0.0004 0.5
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0177 0.1968 0.5545
Loa Loa (eye worm) proprotein convertase 2 0.0025 0.0004 0.0004
Onchocerca volvulus 0.0062 0.0489 0.1773
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0056 0.0148
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0025 0.0004 0.008
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.006 0.0453 0.0449
Brugia malayi neuroendocrine convertase 1 precursor 0.0025 0.0004 0.0004
Plasmodium falciparum subtilisin-like protease 3 0.0025 0.0004 1
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0025 0.0004 0.5
Brugia malayi Ets-domain containing protein 0.007 0.059 0.059
Loa Loa (eye worm) hypothetical protein 0.0062 0.0489 0.0489
Onchocerca volvulus 0.0237 0.274 1
Toxoplasma gondii subtilisin SUB11 0.0025 0.0004 0.008
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.007 0.0188
Brugia malayi hypothetical protein 0.0062 0.0489 0.0489
Brugia malayi Ets-domain containing protein 0.007 0.059 0.059
Plasmodium falciparum subtilisin-like protease 2 0.0025 0.0004 1
Brugia malayi Pre-SET motif family protein 0.003 0.007 0.007
Echinococcus multilocularis Dipeptidyl peptidase 9 0.006 0.0453 0.1267
Brugia malayi Cell death protein 3 precursor 0.0062 0.0489 0.0489
Trypanosoma cruzi subtilisin peptidase 0.0025 0.0004 0.008
Plasmodium vivax subtilisin-like protease 2, putative 0.0025 0.0004 0.0515
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.03 0.3547 1
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0025 0.0004 0.5
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.007 0.059 0.059
Echinococcus granulosus inhibitor of apoptosis protein 0.0193 0.2166 0.6102
Loa Loa (eye worm) hypothetical protein 0.003 0.007 0.007
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.03 0.3547 1
Schistosoma mansoni ets-related 0.0213 0.2432 0.243
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.006 0.0453 1
Loa Loa (eye worm) subtilase 0.0801 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.007 0.0066
Toxoplasma gondii subtilisin SUB1 0.0025 0.0004 0.008
Loa Loa (eye worm) hypothetical protein 0.006 0.0459 0.0459
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0025 0.0004 0.5
Loa Loa (eye worm) fli-1 protein 0.0213 0.2432 0.2432
Toxoplasma gondii subtilisin SUB2 0.0025 0.0004 0.008
Onchocerca volvulus Deterin homolog 0.0193 0.2166 0.7901
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0177 0.1968 0.718
Schistosoma mansoni inhibitor of apoptosis protein 0.0193 0.2166 0.2163
Toxoplasma gondii subtilisin SUB9 0.0025 0.0004 0.008
Brugia malayi prolyl oligopeptidase family protein 0.0177 0.1968 0.1968
Toxoplasma gondii subtilisin SUB12 0.0025 0.0004 0.008
Brugia malayi Fli-1 protein 0.0213 0.2432 0.2432
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.006 0.0453 1
Schistosoma mansoni hypothetical protein 0.0193 0.2166 0.2163
Toxoplasma gondii subtilisin SUB10 0.0025 0.0004 0.008
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.006 0.0453 1
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0025 0.0004 0.008
Loa Loa (eye worm) hypothetical protein 0.0025 0.0004 0.0004
Echinococcus multilocularis GA binding protein alpha chain 0.007 0.059 0.1655
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0025 0.0004 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.006 0.0453 1
Plasmodium vivax SET domain protein, putative 0.003 0.007 1
Plasmodium vivax subtilisin-like serine protease, putative 0.0025 0.0004 0.0515
Echinococcus multilocularis caspase 2 0.0062 0.0489 0.1369
Schistosoma mansoni caspase-7 (C14 family) 0.0062 0.0489 0.0485
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0025 0.0004 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.007 0.0066
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0193 0.2166 0.6102
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.006 0.0453 1
Brugia malayi endoprotease bli-4 precursor 0.0025 0.0004 0.0004
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0177 0.1968 0.5545
Brugia malayi Pre-SET motif family protein 0.0209 0.2369 0.2369
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0025 0.0004 0.5
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0025 0.0004 0.0004
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0193 0.2166 0.2166
Toxoplasma gondii subtilisin SUB7 0.0025 0.0004 0.008

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 12 mm Antifungal activity against Candida albicans ATCC 26555 at 10 mg/disc after 48 hrs by disc-diffusion method ChEMBL. 24095752

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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